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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O6
Molecular Weight 434.5656
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE 3,21-DIACETATE

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(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=DQHCVJQZPHDDTB-XQGASDRYSA-N
InChI=1S/C25H38O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h17-21,29H,5-14H2,1-4H3/t17-,18-,19+,20-,21-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE 3,21-DIACETATE
MI  
Common Name English
PREGNAN-20-ONE, 3,21-BIS(ACETYLOXY)-17-HYDROXY-, (3.BETA.,5.ALPHA.)-
Systematic Name English
(+)-ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE 3,21-DIACETATE
Common Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-20-ONE 3,21-DIACETATE [MI]
Common Name English
5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,17,21-TRIHYDROXY-, 3,21-DIACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
U85HY15O9P
Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023
PRIMARY
MERCK INDEX
m18
Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023
PRIMARY Merck Index
PUBCHEM
53235912
Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023
PRIMARY
CAS
6003-22-1
Created by admin on Fri Dec 15 16:34:44 GMT 2023 , Edited by admin on Fri Dec 15 16:34:44 GMT 2023
PRIMARY