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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O2
Molecular Weight 320.5093
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 13.BETA.,17.ALPHA.-DIETHYL-3.ALPHA.,17.BETA.-DIHYDROXY-5.BETA.-GONANE

SMILES

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

InChI

InChIKey=KQIPRUISTDIUTD-UJCQGIJZSA-N
InChI=1S/C21H36O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h14-19,22-23H,3-13H2,1-2H3/t14-,15-,16+,17-,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
13.BETA.,17.ALPHA.-DIETHYL-3.ALPHA.,17.BETA.-DIHYDROXY-5.BETA.-GONANE
Common Name English
13.BETA.,17.ALPHA.-DIETHYL-5.BETA.-GONANE-3.ALPHA.,17.BETA.-DIOL
Systematic Name English
18,19-DINORPREGNANE-3,17-DIOL, 13-ETHYL-, (3.ALPHA.,5.BETA.,17.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
101431515
Created by admin on Sat Dec 16 11:21:56 GMT 2023 , Edited by admin on Sat Dec 16 11:21:56 GMT 2023
PRIMARY
FDA UNII
KSE32NEC19
Created by admin on Sat Dec 16 11:21:56 GMT 2023 , Edited by admin on Sat Dec 16 11:21:56 GMT 2023
PRIMARY
CAS
87304-65-2
Created by admin on Sat Dec 16 11:21:56 GMT 2023 , Edited by admin on Sat Dec 16 11:21:56 GMT 2023
PRIMARY