3-ETHYNYL-3-HYDROXYANDROSTAN-17-ONE, (3.BETA.,5.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O2
Molecular Weight	314.4617
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ETHYNYL-3-HYDROXYANDROSTAN-17-ONE, (3.BETA.,5.ALPHA.)-

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CC[C@]34C)C#C)[C@@H]1CCC2=O

InChI

InChIKey=QDYCOIXEXYKTPX-DGWDJNBYSA-N

InChI=1S/C21H30O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-17,23H,5-13H2,2-3H3/t14-,15-,16-,17-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O2
Molecular Weight	314.4617
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 `Mon Mar 31 21:22:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:22:55 GMT 2025`
Record UNII	KI997Y1LMX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ETHYNYL-3-HYDROXYANDROSTAN-17-ONE, (3.BETA.,5.ALPHA.)-

Systematic Name

English

NSC-37850

Preferred Name

English

5.ALPHA.-ANDROSTAN-17-ONE, 3.ALPHA.-ETHYNYL-3-HYDROXY-

Systematic Name

English

ANDROSTAN-17-ONE, 3-ETHYNYL-3-HYDROXY-, (3.BETA.,5.ALPHA.)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80937729