U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

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