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Akhdariol

CAT: 0013-GTR19195774-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195774-02Size:50 mg
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Description
Akhdariol is a biochemical compound utilized in research applications. It serves as a tool for investigating biological mechanisms in both in vitro and in vivo experimental models, particularly within the fields of natural product chemistry and pharmacology.
CAS Number
41756-41-6
Smiles
C[C@@]12[C@@]3 ([C@] (O) (C[C@] (C=C) (C) CC3) CC[C@]1 ([C@] (CO) (C) CCC2) [H]) [H]
Molecular Formula
C20H34O2
Molecular Weight
306.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1S,4aS,4bR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
CAS Number41756-41-6
PubChem CID181708
IUPAC Name(1S,4aS,4bR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
Molecular FormulaC20H34O2
Molecular Weight306.5
XLogP4.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity461
SMILES
C[C@@]1(CCC[C@]2(C1CCC3([C@@H]2CCC(C3)(C)C=C)O)C)CO
InChI
InChI=1S/C20H34O2/c1-5-17(2)11-7-16-19(4)10-6-9-18(3,14-21)15(19)8-12-20(16,22)13-17/h5,15-16,21-22H,1,6-14H2,2-4H3/t15?,16-,17?,18-,19+,20?/m1/s1
InChIKey
RIQATFSOVFFVRX-YSCDCMPLSA-N
Chemical Structure
2D Structure
2D structure of (1S,4aS,4bR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
CAS: 41756-41-6
CID: 181708
Formula: C20H34O2
MW: 306.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.5
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass306.255880323
Monoisotopic Mass306.255880323
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity461
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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