3.ALPHA.-HYDROXY-5.ALPHA.-4,5-DIHYRODESOGESTREL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H32O2
Molecular Weight	328.4883
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.ALPHA.-HYDROXY-5.ALPHA.-4,5-DIHYRODESOGESTREL

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](O)CC[C@]34[H]

InChI

InChIKey=SISPTZINJVIHJE-ILEJNFISSA-N

InChI=1S/C22H32O2/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/h2,15-20,23-24H,3-4,6-13H2,1H3/t15-,16+,17-,18-,19-,20+,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H32O2
Molecular Weight	328.4883
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:44:04 GMT 2023` Edited by `admin` on `Sat Dec 16 08:44:04 GMT 2023`
Record UNII	698D448GWS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.-HYDROXY-5.ALPHA.-4,5-DIHYRODESOGESTREL

Common Name

English

18,19-DINORPREGN-20-YNE-3,17-DIOL, 13-ETHYL-11-METHYLENE-, (3.ALPHA.,5.ALPHA.,17.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91800208

Created by admin on Sat Dec 16 08:44:04 GMT 2023 , Edited by admin on Sat Dec 16 08:44:04 GMT 2023

PRIMARY

CAS

70805-86-6

Created by admin on Sat Dec 16 08:44:04 GMT 2023 , Edited by admin on Sat Dec 16 08:44:04 GMT 2023

PRIMARY

FDA UNII

698D448GWS

Created by admin on Sat Dec 16 08:44:04 GMT 2023 , Edited by admin on Sat Dec 16 08:44:04 GMT 2023

PRIMARY

Related Record Type Details


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DESOGESTREL

PARENT -> METABOLITE INACTIVE