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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H36O6
Molecular Weight 432.5497
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KXMNKLIYGUTTRM-QCTCPQKBSA-N
InChI=1S/C25H36O6/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/h16-20,23H,5-13H2,1-4H3/t16-,17-,18-,19-,20+,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,21-DIOL-11,20-DIONE 3,21-DIACETATE
MI  
Common Name English
PREGNANE-11,20-DIONE, 3,21-BIS(ACETYLOXY)-, (3.BETA.,5.ALPHA.)-
Systematic Name English
(+)-ALLOPREGNANE-3.BETA.,21-DIOL-11,20-DIONE 3,21-DIACETATE
Common Name English
5.ALPHA.-PREGNANE-11,20-DIONE, 3.BETA.,21-DIHYDROXY-, DIACETATE
Systematic Name English
ALLOPREGNANE-3.BETA.,21-DIOL-11,20-DIONE 3,21-DIACETATE [MI]
Common Name English
3.BETA.,21-DIACETOXY-5.ALPHA.-PREGNANE-11,20-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
J0I88N7J1V
Created by admin on Fri Dec 15 16:23:48 GMT 2023 , Edited by admin on Fri Dec 15 16:23:48 GMT 2023
PRIMARY
CAS
4732-40-5
Created by admin on Fri Dec 15 16:23:48 GMT 2023 , Edited by admin on Fri Dec 15 16:23:48 GMT 2023
PRIMARY
MERCK INDEX
m11
Created by admin on Fri Dec 15 16:23:48 GMT 2023 , Edited by admin on Fri Dec 15 16:23:48 GMT 2023
PRIMARY Merck Index
PUBCHEM
90478349
Created by admin on Fri Dec 15 16:23:48 GMT 2023 , Edited by admin on Fri Dec 15 16:23:48 GMT 2023
PRIMARY