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1,3,5-Cadinatriene-3,8-diol

CAS# 941227-27-6

1,3,5-Cadinatriene-3,8-diol

Catalog No. BCN4486----Order now to get a substantial discount!

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1,3,5-Cadinatriene-3,8-diol: 5mg $903 In Stock
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Chemical structure

1,3,5-Cadinatriene-3,8-diol

3D structure

Chemical Properties of 1,3,5-Cadinatriene-3,8-diol

Cas No. 941227-27-6 SDF Download SDF
PubChem ID 91885240 Appearance Powder
Formula C15H22O2 M.Wt 234.3
Type of Compound Sesquiterpenoids Storage Desiccate at -20°C
Solubility Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
Chemical Name (1S,2R,4R)-4,7-dimethyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2,6-diol
SMILES CC1CC(C(C2=CC(=C(C=C12)O)C)C(C)C)O
Standard InChIKey RKVZRTDMSVXBGL-ZWZTZDBGSA-N
General tips For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months.
We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months.
Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it.
About Packaging 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial.
2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial.
3. Try to avoid loss or contamination during the experiment.
Shipping Condition Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request.

Source of 1,3,5-Cadinatriene-3,8-diol

The rhizoma of Acorus calamus L.

1,3,5-Cadinatriene-3,8-diol Dilution Calculator

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1,3,5-Cadinatriene-3,8-diol Molarity Calculator

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Preparing Stock Solutions of 1,3,5-Cadinatriene-3,8-diol

1 mg 5 mg 10 mg 20 mg 25 mg
1 mM 4.268 mL 21.3402 mL 42.6803 mL 85.3606 mL 106.7008 mL
5 mM 0.8536 mL 4.268 mL 8.5361 mL 17.0721 mL 21.3402 mL
10 mM 0.4268 mL 2.134 mL 4.268 mL 8.5361 mL 10.6701 mL
50 mM 0.0854 mL 0.4268 mL 0.8536 mL 1.7072 mL 2.134 mL
100 mM 0.0427 mL 0.2134 mL 0.4268 mL 0.8536 mL 1.067 mL
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations.

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References on 1,3,5-Cadinatriene-3,8-diol

Hydrogen bonding in meso-4,5-diphenyl-3,6-diazaoctane-1,8-diol: the formation of one-dimensional linear chains of edge-fused rings.[Pubmed:16456295]

Acta Crystallogr C. 2006 Feb;62(Pt 2):o89-91.

The molecule of the title compound, C18H24N2O2, resides on a crystallographic inversion centre. The molecule adopts a transoid conformation with respect to the central C-C single bond and is in the meso form. A polarimetric study of the compound did not show any optical activity, indicating that the compound is a racemic mixture entirely consistent with the centrosymmetric C2/c space group. In the molecule, there is one intramolecular N-H...O interaction, resulting in the formation of a five-membered ring. In the crystal structure, intermolecular O-H...N and C-H...O interactions are also observed. These interactions form an R2(2)(9) ring and one-dimensional linear chains of edge-fused rings running parallel to the [010] direction, which stabilize the crystal packing.

A convenient preparation of (1R,2S,7S,8R)-3,5-diaza-2,7-dimethyl-1,8-diphenyloctan-1,8-diol and its enantiomer.[Pubmed:16946547]

Chem Pharm Bull (Tokyo). 2006 Sep;54(9):1331-2.

The synthesis of (1R,2S,7S,8R)-3,5-diaza-2,7-dimethyl-1,8-diphenyloctan-1,8-diol 6 and its enantiomer 7 are described utilising (-)-(1R,2S)- or (+)-(1S,2R)-norephedrine, respectively.

Chemoenzymatic synthesis of (E)-3,7-dimethyl-2-octene-1,8-diol isolated from the hairpencils of male Danaus chrysippus (African Monarch).[Pubmed:12781175]

Bioorg Med Chem Lett. 2003 Jun 16;13(12):1967-9.

The synthesis of (E)-3,7-dimethyl-2-octene-1,8-diol (1), which was isolated from the hairpencils of male Danaus chrysippus (African Monarch), was investigated. The key step of the sequence involves asymmetric desymmetrization of the 1,3-propanediol 7 with lipase, in which high enantioselectivity was observed. Total synthesis afforded (S)-1 in 12 steps and 26% overall yield from readily available geraniol.

2,8-Dimethyl-tricyclo-[5.3.1.1]dodecane-syn-2,syn-8-diol-propanoic acid (1/1).[Pubmed:21583108]

Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1241.

The racemic title compound, C(14)H(24)O(2).C(3)H(6)O(2), crystallizes in the monoclinic space group P2(1)/c as a 1:1 diol/carboxylic acid cocrystal, A-B. The lattice incorporates infinite chains of the alcohol-carboxylic acid-alcohol supra-molecular synthon, (cdots, three dots, centeredO-Hcdots, three dots, centeredO=C(R)-O-Hcdots, three dots, centeredO-Hcdots, three dots, centered), in which the hydrogen-bonded mol-ecules (A-B-A)(n) surround a pseudo-threefold screw axis. The carboxylic acid group functions like an extended alcohol hydr-oxy group. Each diol, A, takes part in two such threefold screw arrangements, leading to a hydrogen-bonded layer structure, with adjacent layers containing diol mol-ecules of opposite handedness. The central C atom of the propano bridge is disordered over two sites of occupancies 0.75 (1) and 0.25 (1). The methyl group of the propanoic acid molecule is disordered over two sites of occupancies 0.68 (1) and 0.32 (1).

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