146115918
  -OEChem-04232403082D

 66 71  0     1  0  0  0  0  0999 V2000
    5.6604   -1.5203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3550   -2.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8225   -2.0480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    1.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9204    2.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4490   -3.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7858   -0.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595    3.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5709   -1.0135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7049   -0.5135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4369   -0.5135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7049    0.4865    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5548   -2.0550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8109    1.0212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4369    0.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5709    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049    0.5074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8109   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469   -1.0203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3550   -1.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9049   -0.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3029   -0.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9642    2.0313    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4529   -2.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9594    0.8943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819   -0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2528    2.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3001    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1253   -0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2758    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2418    0.1765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3901    0.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8868   -1.3251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8181   -1.9493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6650   -2.1761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919   -1.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940   -0.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958   -1.1180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6130   -0.5504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9930    0.5235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1264    2.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866    0.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5214    1.2738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 13  1  0  0  0  0
  2 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  2  0  0  0  0
  4 25  1  0  0  0  0
  4 31  1  0  0  0  0
 23  5  1  6  0  0  0
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  7 33  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
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 12 35  1  0  0  0  0
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 14 23  1  0  0  0  0
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 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
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 29 59  1  0  0  0  0
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 30 62  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
146115918

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
976

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAEgAAASAAAAA0YIAABIkAAADRgAAAGgAACAAAD1SgmAIyDIAABkCIAqjSiAICCAAkIAAIiAFGCMgNNxYENQ6CWSCl4BEKKYPK7vzvgAAAAAAAAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,4S,7S,8S,12R,13S)-7-(3-furyl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,4S,7S,8S,12R,13S)-7-(3-furanyl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]eicosane-5,15,20-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,4<I>S</I>,7<I>S</I>,8<I>S</I>,12<I>R</I>,13<I>S</I>)-7-(furan-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0<SUP>2,4</SUP>.0<SUP>2,8</SUP>.0<SUP>12,18</SUP>]icosane-5,15,20-trione

> <PUBCHEM_IUPAC_NAME>
(1R,2R,4S,7S,8S,12R,13S)-7-(furan-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,4S,7S,8S,12R,13S)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-13-oxidanyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,4S,7S,8S,12R,13S)-7-(3-furyl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]eicosane-5,15,20-trione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14?,15?,16-,19-,20+,23-,24+,25-,26+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HWAJASVMTDEFJN-RUQWRMCFSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
472.20971797

> <PUBCHEM_MOLECULAR_FORMULA>
C26H32O8

> <PUBCHEM_MOLECULAR_WEIGHT>
472.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC(=O)C3(C(C2(C(CC(=O)O1)O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CCC3[C@]4([C@H](CC(=O)OC(C4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)O)C

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
472.20971797

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
7

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
9  1  5
10  20  5
11  22  6
12  16  3
13  36  6
14  26  5
17  21  3
19  27  6
27  32  8
27  33  8
32  34  8
23  5  6
7  33  8
7  34  8

$$$$
