3,7,12-Trihydroxycholestane-5-carboxylic acid, (3α,5β,7α,12α)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H48O5
Molecular Weight	464.6777
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,7,12-Trihydroxycholestane-5-carboxylic acid, (3α,5β,7α,12α)-

Structure Search

SMILES

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

InChI

InChIKey=JIFNDZCDNLFAKC-YAODFNMUSA-N

InChI=1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H48O5
Molecular Weight	464.6777
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:43:09 GMT 2023` Edited by `admin` on `Sat Dec 16 16:43:09 GMT 2023`
Record UNII	8ZJG7M7XQT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,7,12-Trihydroxycholestane-5-carboxylic acid, (3α,5β,7α,12α)-

Systematic Name

English

Cholestane-5-carboxylic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-

Common Name

English

3,7,12-Trihydroxycoprostanic acid(27,27,27-d3)

Common Name

English

(3r,5r,7r,8r,9s,10r,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5-carboxylic acid

Systematic Name

English

(3α,5β,7α,12α)-3,7,12-Trihydroxy-cholestane-5-carboxylic acid

Systematic Name

English

(3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

122166

Created by admin on Sat Dec 16 16:43:09 GMT 2023 , Edited by admin on Sat Dec 16 16:43:09 GMT 2023

PRIMARY

EPA CompTox

DTXSID801186225

Created by admin on Sat Dec 16 16:43:09 GMT 2023 , Edited by admin on Sat Dec 16 16:43:09 GMT 2023

PRIMARY

FDA UNII

8ZJG7M7XQT

Created by admin on Sat Dec 16 16:43:09 GMT 2023 , Edited by admin on Sat Dec 16 16:43:09 GMT 2023

PRIMARY

CAS

863-39-8

Created by admin on Sat Dec 16 16:43:09 GMT 2023 , Edited by admin on Sat Dec 16 16:43:09 GMT 2023

PRIMARY