Stigmastane-3β,5α,6β-triol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H52O3
Molecular Weight	448.7214
Optical Activity	( + )
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C

InChI

InChIKey=VGSSUFQMXBFFTM-METNKUIYSA-N

InChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H52O3
Molecular Weight	448.7214
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor alpha 127 Target ID: CHEMBL206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15322366	Agonist 2678

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:32:14 GMT 2023` Edited by `admin` on `Sat Dec 16 15:32:14 GMT 2023`
Record UNII	83PAZ7H88D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Stigmastane-3β,5α,6β-triol

Common Name

English

Stigmastane-3,5,6-triol, (3β,5α,6β)-

Common Name

English

(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

Systematic Name

English

Stigmastane-3,5,6-triol

Common Name

English

(3S,5S,6R,8R,9R,10S,13S,14S,17R)-17-((2R,5S)-5-ETHYL-6-METHYL-HEPTAN-2-YL)-10,13-DIMETHYL-1,2,3,4,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHRENE-3,5,6-TRIOL

Systematic Name

English

(24R)-Ethylcholestan-3β,5α,6β-triol

Systematic Name

English

(24R)-24-Ethyl-5α-cholestane-3β,5,6β-triol

Common Name

English

(3β,5α,6β)-Stigmastane-3,5,6-triol

Common Name

English

Code System Code Type Description

CAS

20835-91-0

Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023

PRIMARY

EPA CompTox

DTXSID10943075

Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023

PRIMARY

PUBCHEM

3036251

Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023

PRIMARY

FDA UNII

83PAZ7H88D

Created by admin on Sat Dec 16 15:32:14 GMT 2023 , Edited by admin on Sat Dec 16 15:32:14 GMT 2023

PRIMARY