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

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(C[C@H](O)CC4)C[C@@H](C)[C@@]23[H]

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 `Sat Dec 16 10:37:27 GMT 2023` Edited by `admin` on `Sat Dec 16 10:37:27 GMT 2023`
Record UNII	37T303O94A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.-HYDROXYTIBOLONE

Common Name

English

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

Systematic Name

English

ORG-4094

Code

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