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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H36O4
Molecular Weight 376.5295
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 3-ACETATE

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](CC[C@]34C)OC(C)=O

InChI

InChIKey=TVQDBRRFOFGWDS-LQHFQCQCSA-N
InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE
MI  
Common Name English
NSC-15480
Code English
PREGNAN-20-ONE, 3-(ACETYLOXY)-17-HYDROXY-, (3.BETA.,5.ALPHA.)-
Systematic Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE [MI]
Common Name English
NSC-8106
Code English
Code System Code Type Description
PUBCHEM
222287
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY
MERCK INDEX
m1533
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY Merck Index
NSC
15480
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY
FDA UNII
X12IGG0Y3F
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY
CAS
5456-44-0
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY
NSC
8106
Created by admin on Sat Dec 16 09:46:30 GMT 2023 , Edited by admin on Sat Dec 16 09:46:30 GMT 2023
PRIMARY