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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H44O4
Molecular Weight 528.7215
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIBENZOATE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C5=CC=CC=C5)[C@@H](C)OC(=O)C6=CC=CC=C6

InChI

InChIKey=VIHAFJNAKKNZSU-HVOCIGEFSA-N
InChI=1S/C35H44O4/c1-23(38-32(36)24-10-6-4-7-11-24)29-16-17-30-28-15-14-26-22-27(39-33(37)25-12-8-5-9-13-25)18-20-34(26,2)31(28)19-21-35(29,30)3/h4-13,23,26-31H,14-22H2,1-3H3/t23-,26+,27+,28+,29-,30+,31+,34+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H44O4
Molecular Weight 528.7215
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 Sat Dec 16 08:25:24 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:24 GMT 2023
Record UNII
B67368942K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIBENZOATE
MI  
Common Name English
ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIBENZOATE [MI]
Common Name English
5.ALPHA.-PREGNANE-3.BETA.,20.BETA.-DIOL, DIBENZOATE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m1532
Created by admin on Sat Dec 16 08:25:24 GMT 2023 , Edited by admin on Sat Dec 16 08:25:24 GMT 2023
PRIMARY Merck Index
CAS
25390-11-8
Created by admin on Sat Dec 16 08:25:24 GMT 2023 , Edited by admin on Sat Dec 16 08:25:24 GMT 2023
PRIMARY
PUBCHEM
72710662
Created by admin on Sat Dec 16 08:25:24 GMT 2023 , Edited by admin on Sat Dec 16 08:25:24 GMT 2023
PRIMARY
FDA UNII
B67368942K
Created by admin on Sat Dec 16 08:25:24 GMT 2023 , Edited by admin on Sat Dec 16 08:25:24 GMT 2023
PRIMARY