3.ALPHA.-HYDROXYDESOGESTREL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H30O2
Molecular Weight	326.4724
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.ALPHA.-HYDROXYDESOGESTREL

Structure Search

SMILES

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

InChI

InChIKey=ZMLDTNLDYRJTAZ-JASYKLOUSA-N

InChI=1S/C22H30O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,16-20,23-24H,3-4,6-11,13H2,1H3/t16-,17+,18+,19+,20-,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H30O2
Molecular Weight	326.4724
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 22:16:53 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:53 GMT 2025`
Record UNII	5B0JZH6AB6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.-HYDROXYDESOGESTREL

Common Name

English

18,19-DINORPREGN-4-EN-20-YNE-3,17-DIOL, 13-ETHYL-11-METHYLENE-, (3.ALPHA.,17.ALPHA.)-

Preferred Name

English

Code System Code Type Description

CAS

70805-84-4

Created by admin on Mon Mar 31 22:16:53 GMT 2025 , Edited by admin on Mon Mar 31 22:16:53 GMT 2025

PRIMARY

PUBCHEM

29981456

Created by admin on Mon Mar 31 22:16:53 GMT 2025 , Edited by admin on Mon Mar 31 22:16:53 GMT 2025

PRIMARY

FDA UNII

5B0JZH6AB6

Created by admin on Mon Mar 31 22:16:53 GMT 2025 , Edited by admin on Mon Mar 31 22:16:53 GMT 2025

PRIMARY

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DESOGESTREL

PARENT -> METABOLITE INACTIVE