Pregn-5-en-20-one, 3?-chloro-16?-methyl-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H33ClO
Molecular Weight	348.95
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pregn-5-en-20-one, 3?-chloro-16?-methyl-

Structure Search

SMILES

C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O

InChI

InChIKey=NFYMGEGTTYAURK-RDTLVLTASA-N

InChI=1S/C22H33ClO/c1-13-11-19-17-6-5-15-12-16(23)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)24/h5,13,16-20H,6-12H2,1-4H3/t13-,16+,17-,18+,19+,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H33ClO
Molecular Weight	348.95
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 21:53:00 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:00 GMT 2025`
Record UNII	RMD28G2VJW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pregn-5-en-20-one, 3?-chloro-16?-methyl-

Common Name

English

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

Preferred Name

English

Code System Code Type Description

CAS

96367-83-8

Created by admin on Mon Mar 31 21:53:00 GMT 2025 , Edited by admin on Mon Mar 31 21:53:00 GMT 2025

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PUBCHEM

24843168

Created by admin on Mon Mar 31 21:53:00 GMT 2025 , Edited by admin on Mon Mar 31 21:53:00 GMT 2025

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EPA CompTox

DTXSID70242213

Created by admin on Mon Mar 31 21:53:00 GMT 2025 , Edited by admin on Mon Mar 31 21:53:00 GMT 2025

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FDA UNII

RMD28G2VJW

Created by admin on Mon Mar 31 21:53:00 GMT 2025 , Edited by admin on Mon Mar 31 21:53:00 GMT 2025

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