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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H42O7
Molecular Weight 478.6182
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.,21-TETROL 3,20,21-TRIACETATE

SMILES

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

InChI

InChIKey=CZWCJGAMABAMRM-UKCFDWNUSA-N
InChI=1S/C27H42O7/c1-16(28)32-15-24(34-18(3)30)27(31)13-10-23-21-7-6-19-14-20(33-17(2)29)8-11-25(19,4)22(21)9-12-26(23,27)5/h19-24,31H,6-15H2,1-5H3/t19-,20-,21+,22-,23-,24+,25-,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H42O7
Molecular Weight 478.6182
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:34:57 GMT 2025
Edited
by admin
on Mon Mar 31 22:34:57 GMT 2025
Record UNII
OX57AK1732
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.,21-TETROL 3,20,21-TRIACETATE
Common Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.,21-TETROL TRIACETATE [MI]
Preferred Name English
5.ALPHA.-PREGNANE-3.BETA.,17,20.BETA.,21-TETROL, 3,20,21-TRIACETATE
Systematic Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.,21-TETROL 3,20,21-TRIACETATE [MI]
Common Name English
PREGNANE-3,17,20,21-TETROL, 3,20,21-TRIACETATE, (3.BETA.,5.ALPHA.,20R)-
Systematic Name English
Code System Code Type Description
CAS
6199-84-4
Created by admin on Mon Mar 31 22:34:57 GMT 2025 , Edited by admin on Mon Mar 31 22:34:57 GMT 2025
PRIMARY
PUBCHEM
90478386
Created by admin on Mon Mar 31 22:34:57 GMT 2025 , Edited by admin on Mon Mar 31 22:34:57 GMT 2025
PRIMARY
MERCK INDEX
m13
Created by admin on Mon Mar 31 22:34:57 GMT 2025 , Edited by admin on Mon Mar 31 22:34:57 GMT 2025
PRIMARY
FDA UNII
OX57AK1732
Created by admin on Mon Mar 31 22:34:57 GMT 2025 , Edited by admin on Mon Mar 31 22:34:57 GMT 2025
PRIMARY