6.ALPHA.-HYDROPEROXYCHOLEST-4-EN-3-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O3
Molecular Weight	416.6365
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6.ALPHA.-HYDROPEROXYCHOLEST-4-EN-3-ONE

Structure Search

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OO)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=CVJNCIPPOLWWCO-FQIKLQBFSA-N

InChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(30-29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O3
Molecular Weight	416.6365
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 `Tue Apr 01 19:21:01 GMT 2025` Edited by `admin` on `Tue Apr 01 19:21:01 GMT 2025`
Record UNII	4HAN06GD7O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6.ALPHA.-HYDROPEROXYCHOLEST-4-EN-3-ONE

Systematic Name

English

6-HYDROPEROXYCHOLEST-4-EN-3-ONE, (6.ALPHA.)-

Preferred Name

English

CHOLEST-4-EN-3-ONE, 6-HYDROPEROXY-, (6.ALPHA.)-

Systematic Name

English

HYDROPEROXIDE, 3-OXOCHOLEST-4-EN-6.ALPHA.-YL

Systematic Name

English

Code System Code Type Description

PUBCHEM

14583978

Created by admin on Tue Apr 01 19:21:01 GMT 2025 , Edited by admin on Tue Apr 01 19:21:01 GMT 2025

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FDA UNII

4HAN06GD7O

Created by admin on Tue Apr 01 19:21:01 GMT 2025 , Edited by admin on Tue Apr 01 19:21:01 GMT 2025

PRIMARY

CAS

2603-75-0

Created by admin on Tue Apr 01 19:21:01 GMT 2025 , Edited by admin on Tue Apr 01 19:21:01 GMT 2025

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