14-Methyl-5?-Cholestan-3-One

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H48O
Molecular Weight	400.6801
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 14-Methyl-5?-Cholestan-3-One

Structure Search

SMILES

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

InChI

InChIKey=ZMYBKDLUDWAJSA-DPLNCCJLSA-N

InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-21,23-25H,7-18H2,1-6H3/t20-,21+,23-,24+,25-,26+,27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H48O
Molecular Weight	400.6801
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 `Wed Apr 02 08:02:12 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:12 GMT 2025`
Record UNII	KU9WG3SG7H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Cholestan-3-one, 14-methyl-, (5?)-

Preferred Name

English

14-Methyl-5?-Cholestan-3-One

Common Name

English

(5S,8R,9S,10S,13R,14S,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

22295157

Created by admin on Wed Apr 02 08:02:12 GMT 2025 , Edited by admin on Wed Apr 02 08:02:12 GMT 2025

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EPA CompTox

DTXSID501296126

Created by admin on Wed Apr 02 08:02:12 GMT 2025 , Edited by admin on Wed Apr 02 08:02:12 GMT 2025

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CAS

54411-55-1

Created by admin on Wed Apr 02 08:02:12 GMT 2025 , Edited by admin on Wed Apr 02 08:02:12 GMT 2025

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FDA UNII

KU9WG3SG7H

Created by admin on Wed Apr 02 08:02:12 GMT 2025 , Edited by admin on Wed Apr 02 08:02:12 GMT 2025

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