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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O3
Molecular Weight 334.4929
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE

SMILES

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

InChI

InChIKey=LKQDFQLSEHWIRK-FJCZRMHDSA-N
InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE
MI  
Common Name English
3.BETA.,17-DIHYDROXY-5.ALPHA.-PREGNAN-20-ONE
Systematic Name English
5-.ALPHA.-PREGNAN-3-.BETA., 17-DIOL-20-ONE
Common Name English
WINTERSTEINER'S COMPOUND G
Common Name English
(3.BETA.,5.ALPHA.)-3,17-DIHYDROXYPREGNAN-20-ONE
Systematic Name English
3.BETA.,17-DIHYDROXY-20-OXO-5.ALPHA.-PREGNANE
Systematic Name English
17-(1-KETOETHYL)ANDROSTANE-3,17-DIOL
Systematic Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE [MI]
Common Name English
REICHSTEIN'S SUBSTANCE L
Common Name English
Code System Code Type Description
PUBCHEM
3032331
Created by admin on Fri Dec 15 15:01:17 GMT 2023 , Edited by admin on Fri Dec 15 15:01:17 GMT 2023
PRIMARY
CAS
570-54-7
Created by admin on Fri Dec 15 15:01:17 GMT 2023 , Edited by admin on Fri Dec 15 15:01:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID30878597
Created by admin on Fri Dec 15 15:01:17 GMT 2023 , Edited by admin on Fri Dec 15 15:01:17 GMT 2023
PRIMARY
FDA UNII
968OE017B8
Created by admin on Fri Dec 15 15:01:17 GMT 2023 , Edited by admin on Fri Dec 15 15:01:17 GMT 2023
PRIMARY
MERCK INDEX
m1533
Created by admin on Fri Dec 15 15:01:17 GMT 2023 , Edited by admin on Fri Dec 15 15:01:17 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
209-331-7
Created by admin on Fri Dec 15 15:01:17 GMT 2023 , Edited by admin on Fri Dec 15 15:01:17 GMT 2023
PRIMARY