2-HYDROXYMETHYL-17.ALPHA.-METHYLANDROSTA-1,4-DIENE-11.ALPHA.,17.BETA.-DIOL-3-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O4
Molecular Weight	346.4605
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-HYDROXYMETHYL-17.ALPHA.-METHYLANDROSTA-1,4-DIENE-11.ALPHA.,17.BETA.-DIOL-3-ONE

Structure Search

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@@H](O)[C@@]3([H])[C@@]2([H])CCC4=CC(=O)C(CO)=C[C@]34C

InChI

InChIKey=WXBPWNNGZDXSDG-GNIMZFFESA-N

InChI=1S/C21H30O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,14-15,17-18,22,24-25H,4-7,10-11H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O4
Molecular Weight	346.4605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:34:32 GMT 2023` Edited by `admin` on `Sat Dec 16 18:34:32 GMT 2023`
Record UNII	D24CLG31OO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-HYDROXYMETHYL-17.ALPHA.-METHYLANDROSTA-1,4-DIENE-11.ALPHA.,17.BETA.-DIOL-3-ONE

Common Name

English

ANDROSTA-1,4-DIEN-3-ONE, 11,17-DIHYDROXY-2-(HYDROXYMETHYL)-17-METHYL-, (11.ALPHA.,17.BETA.)-

Systematic Name

English

11.ALPHA.,17.BETA.-DIHYDROXY-2-(HYDROXYMETHYL)-17.ALPHA.-METHYLANDROSTA-1,4-DIEN-3-ONE

Systematic Name

English

Code System Code Type Description

CAS

59400-02-1

Created by admin on Sat Dec 16 18:34:32 GMT 2023 , Edited by admin on Sat Dec 16 18:34:32 GMT 2023

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FDA UNII

D24CLG31OO

Created by admin on Sat Dec 16 18:34:32 GMT 2023 , Edited by admin on Sat Dec 16 18:34:32 GMT 2023

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PUBCHEM

14833616

Created by admin on Sat Dec 16 18:34:32 GMT 2023 , Edited by admin on Sat Dec 16 18:34:32 GMT 2023

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