7α,12α-Dihydroxy-5β-cholestane-3-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H46O3
Molecular Weight	418.6523
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7α,12α-Dihydroxy-5β-cholestane-3-one

Structure Search

SMILES

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

InChI

InChIKey=HHVQPBXBALLUDF-QORHGLQKSA-N

InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H46O3
Molecular Weight	418.6523
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:20:23 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:23 GMT 2023`
Record UNII	JXG7DN7KC6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7α,12α-Dihydroxy-5β-cholestane-3-one

Common Name

English

(1R,3aS,3bR,4R,5aR,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one

Systematic Name

English

(5S,7S,8R,9R,10R,12R,13S,14S,17R)-10,13-DIMETHYL-17-((2R)-6-METHYLHEPTAN-2-YL)-7,12-BIS(OXIDANYL)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE

Systematic Name

English

(5β,7α,12α)-7,12-Dihydroxycholestan-3-one

Common Name

English

Cholestan-3-one, 7,12-dihydroxy-, (5β,7α,12α)-

Common Name

English

Code System Code Type Description

PUBCHEM

5284271

Created by admin on Sat Dec 16 15:20:23 GMT 2023 , Edited by admin on Sat Dec 16 15:20:23 GMT 2023

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FDA UNII

JXG7DN7KC6

Created by admin on Sat Dec 16 15:20:23 GMT 2023 , Edited by admin on Sat Dec 16 15:20:23 GMT 2023

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EPA CompTox

DTXSID00415291

Created by admin on Sat Dec 16 15:20:23 GMT 2023 , Edited by admin on Sat Dec 16 15:20:23 GMT 2023

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CAS

547-97-7

Created by admin on Sat Dec 16 15:20:23 GMT 2023 , Edited by admin on Sat Dec 16 15:20:23 GMT 2023

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