69906537
  -OEChem-04292400212D

 74 79  0     1  0  0  0  0  0999 V2000
    5.5954   -2.5456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9300   -1.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0647    0.2168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0589   -0.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    2.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628   -0.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5288   -0.8108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9258   -0.9778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3948   -0.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3948    0.6892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3309   -1.8856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3196   -1.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888    1.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6628    0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434   -1.0845    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5288    1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    0.7101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7396   -2.0515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2888   -0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    0.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2637    2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949   -0.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4189    1.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2723   -0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -3.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949    2.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1386    2.3303    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7227   -3.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0169   -1.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.8665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0000   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2158   -1.3113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5777   -0.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3883   -1.1607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342    0.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6756   -2.6626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3187   -2.4026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9361   -1.8486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4507    1.2719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0522    0.5816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448   -1.2463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9274    1.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1303    1.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842   -1.3152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6824   -1.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068    0.7262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2598    0.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868   -0.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0412    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6555    2.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3477    0.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495    1.3514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7248    2.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8796    2.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1131    1.1779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    0.0729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8562    0.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8126   -0.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864   -3.6476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2544   -3.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885    3.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1351    2.9503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -3.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0699   -3.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5992    0.5309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664   -1.2705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984   -1.9157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113   -2.5026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0003    3.4536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7473   -2.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4338   -3.5267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527   -3.8402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
 18  1  1  1  0  0  0
  2 18  1  0  0  0  0
  2 30  1  0  0  0  0
 17  3  1  1  0  0  0
  3 67  1  0  0  0  0
  4 22  2  0  0  0  0
 28  5  1  6  0  0  0
  5 71  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  6  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 33  1  1  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  8 34  1  1  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 35  1  6  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 36  1  1  0  0  0
 11 12  1  0  0  0  0
 11 37  1  1  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 13 24  1  6  0  0  0
 14 16  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  1  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 26  1  0  0  0  0
 19 22  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 27  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 23 28  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 29  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 28  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 31  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 30 31  1  0  0  0  0
 30 68  1  0  0  0  0
 30 69  1  0  0  0  0
 31 32  1  1  0  0  0
 31 70  1  0  0  0  0
 32 72  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69906537

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
814

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAaIAAAA0YMEAAAASAGDAAAAAGgAACAAAD1SggAICCAAABgAIAIAQAAIAAAAAAAAAAAFAAAAQEBIAAAAiQAAFAAAEAAHK6PyPgAAAAAAAAADAAAYQADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethyl-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-19-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethyl-19-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-oxane]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,4<I>S</I>,5&apos;<I>R</I>,6<I>R</I>,7<I>S</I>,8<I>R</I>,9<I>S</I>,12<I>S</I>,13<I>R</I>,16<I>S</I>,18<I>R</I>)-16,18-dihydroxy-5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icosane-6,2&apos;-oxane]-19-one

> <PUBCHEM_IUPAC_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-5',7,9,13-tetramethyl-16,18-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethyl-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-tetrahydropyran]-19-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H42O5/c1-15-5-10-27(31-14-15)16(2)23-21(32-27)12-20-18-11-22(29)26(30)13-17(28)6-9-25(26,4)19(18)7-8-24(20,23)3/h15-21,23,28,30H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21+,23+,24+,25-,26+,27-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HCRGPOQBVFMZFY-PPCFKNSFSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
446.30322444

> <PUBCHEM_MOLECULAR_FORMULA>
C27H42O5

> <PUBCHEM_MOLECULAR_WEIGHT>
446.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=O)C6(C5(CCC(C6)O)C)O)C)C)OC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=O)[C@@]6([C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1

> <PUBCHEM_CACTVS_TPSA>
76

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
446.30322444

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
12

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  1  5
10  36  5
11  37  5
13  24  6
15  25  5
17  3  5
31  32  5
28  5  6
6  20  6
7  33  5
8  34  5
9  35  6

$$$$
