3.ALPHA.-HYDROXYTIBOLONE

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 Search

SMILES

C[C@@H]1CC2=C(CC[C@@H](O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13

InChI

InChIKey=YLEUWNOTNJZCBN-CZTKNSHGSA-N

InChI=1S/C21H30O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,15,17-19,22-23H,5-12H2,2-3H3/t13-,15-,17-,18+,19-,20+,21+/m1/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 23:21:48 GMT 2025` Edited by `admin` on `Mon Mar 31 23:21:48 GMT 2025`
Record UNII	37T303O94A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.-HYDROXYTIBOLONE

Common Name

English

ORG-4094

Preferred Name

English

(3.ALPHA.,7.ALPHA.,17.ALPHA.)-7-METHYL-19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL

Systematic Name

English

19-NORPREGN-5(10)-EN-20-YNE-3,17-DIOL, 7-METHYL-, (3.ALPHA.,7.ALPHA.,17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10087021