22,23-DIHYDROSPINASTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H48O
Molecular Weight	412.6908
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

InChI

InChIKey=JWANJDUXWSJWER-QEHLSLKGSA-N

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-22,25-27H,7-10,12-18H2,1-6H3/t20-,21-,22-,25-,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H48O
Molecular Weight	412.6908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:26:29 GMT 2025` Edited by `admin` on `Mon Mar 31 22:26:29 GMT 2025`
Record UNII	HYA294RTK8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

22,23-DIHYDROSPINASTERONE

Common Name

English

(5?)-Stigmast-7-en-3-one

Preferred Name

English

(5R,9R,10S,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systematic Name

English

(1R,3aR,5aR,9aS,9bR,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Systematic Name

English

Stigmast-7-en-3-one, (5?)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90929832

Created by admin on Mon Mar 31 22:26:29 GMT 2025 , Edited by admin on Mon Mar 31 22:26:29 GMT 2025

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FDA UNII

HYA294RTK8

Created by admin on Mon Mar 31 22:26:29 GMT 2025 , Edited by admin on Mon Mar 31 22:26:29 GMT 2025

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CAS

137567-08-9

Created by admin on Mon Mar 31 22:26:29 GMT 2025 , Edited by admin on Mon Mar 31 22:26:29 GMT 2025

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PUBCHEM

5487443

Created by admin on Mon Mar 31 22:26:29 GMT 2025 , Edited by admin on Mon Mar 31 22:26:29 GMT 2025

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