5.ALPHA.-PREGN-2-EN-20-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H32O
Molecular Weight	300.4782
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5.ALPHA.-PREGN-2-EN-20-ONE

Structure Search

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])CC=CC[C@]34C

InChI

InChIKey=PERPPAKFLWZECF-QYYVTAPASA-N

InChI=1S/C21H32O/c1-14(22)17-9-10-18-16-8-7-15-6-4-5-12-20(15,2)19(16)11-13-21(17,18)3/h4-5,15-19H,6-13H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H32O
Molecular Weight	300.4782
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:41:24 GMT 2023` Edited by `admin` on `Sat Dec 16 08:41:24 GMT 2023`
Record UNII	PNW12261H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5.ALPHA.-PREGN-2-EN-20-ONE

Systematic Name

English

NSC-60469

Code

English

5-ALPHA-PREGN-2-EN-20-ONE

Common Name

English

PREGN-2-EN-20-ONE, (5.ALPHA.)-

Systematic Name

English

Code System Code Type Description

NSC

60469

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

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FDA UNII

PNW12261H1

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

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EPA CompTox

DTXSID80914257

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

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CAS

969-72-2

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

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PUBCHEM

246883

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

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