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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O4
Molecular Weight 348.4764
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

SMILES

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

InChI

InChIKey=XWYBFXIUISNTQG-KMNUWYNSSA-N
InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O4
Molecular Weight 348.4764
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:35:27 GMT 2025
Edited
by admin
on Mon Mar 31 17:35:27 GMT 2025
Record UNII
SV2GI8UGSX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNANE-3.BETA.,21-DIOL-11,20-DIONE
MI  
Common Name English
(+)-ALLOPREGNANE-3.BETA.,21-DIOL-11,20-DIONE
Preferred Name English
PREGNANE-11,20-DIONE, 3,21-DIHYDROXY-, (3.BETA.,5.ALPHA.)-
Systematic Name English
ALLOPREGNANE-3.BETA.,21-DIOL-11,20-DIONE [MI]
Common Name English
KENDALL'S COMPOUND H
Common Name English
3.BETA.,21-DIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE
Systematic Name English
REICHSTEIN'S SUBSTANCE N
Common Name English
Code System Code Type Description
CAS
566-02-9
Created by admin on Mon Mar 31 17:35:28 GMT 2025 , Edited by admin on Mon Mar 31 17:35:28 GMT 2025
PRIMARY
FDA UNII
SV2GI8UGSX
Created by admin on Mon Mar 31 17:35:28 GMT 2025 , Edited by admin on Mon Mar 31 17:35:28 GMT 2025
PRIMARY
MERCK INDEX
m11
Created by admin on Mon Mar 31 17:35:28 GMT 2025 , Edited by admin on Mon Mar 31 17:35:28 GMT 2025
PRIMARY Merck Index
PUBCHEM
11695962
Created by admin on Mon Mar 31 17:35:28 GMT 2025 , Edited by admin on Mon Mar 31 17:35:28 GMT 2025
PRIMARY