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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O6
Molecular Weight 434.5656
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE 3,21-DIACETATE

SMILES

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

InChI

InChIKey=WBZYOPMJAOANPU-HNOHUYCESA-N
InChI=1S/C25H38O6/c1-14(26)30-13-22(29)20-8-7-19-18-6-5-16-11-17(31-15(2)27)9-10-24(16,3)23(18)21(28)12-25(19,20)4/h16-21,23,28H,5-13H2,1-4H3/t16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE 3,21-DIACETATE
MI  
Common Name English
PREGNAN-20-ONE, 3,21-BIS(ACETYLOXY)-11-HYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-
Systematic Name English
ALLOPREGNANE-3.BETA.,11.BETA.,21-TRIOL-20-ONE 3,21-DIACETATE [MI]
Common Name English
5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,11.BETA.,21-TRIHYDROXY-, 3,21-DIACETATE
Common Name English
Code System Code Type Description
FDA UNII
064950K11A
Created by admin on Sat Dec 16 01:57:24 GMT 2023 , Edited by admin on Sat Dec 16 01:57:24 GMT 2023
PRIMARY
MERCK INDEX
m1536
Created by admin on Sat Dec 16 01:57:24 GMT 2023 , Edited by admin on Sat Dec 16 01:57:24 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID40208760
Created by admin on Sat Dec 16 01:57:24 GMT 2023 , Edited by admin on Sat Dec 16 01:57:24 GMT 2023
PRIMARY
CAS
6003-21-0
Created by admin on Sat Dec 16 01:57:24 GMT 2023 , Edited by admin on Sat Dec 16 01:57:24 GMT 2023
PRIMARY
PUBCHEM
71586839
Created by admin on Sat Dec 16 01:57:24 GMT 2023 , Edited by admin on Sat Dec 16 01:57:24 GMT 2023
PRIMARY