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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H52O3
Molecular Weight 472.7428
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOYASAPOGENOL D

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)C[C@@H](OC)[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](O)[C@]2(C)CO

InChI

InChIKey=JAQZKPHHLRTVCY-ZHRKTGFNSA-N
InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H52O3
Molecular Weight 472.7428
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 05:32:55 GMT 2023
Edited
by admin
on Sat Dec 16 05:32:55 GMT 2023
Record UNII
22HBQ1HBAP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOYASAPOGENOL D
Common Name English
OLEAN-13(18)-ENE-3,23-DIOL, 22-METHOXY-, (3.BETA.,4.BETA.,22.BETA.)-
Common Name English
Code System Code Type Description
CAS
65892-76-4
Created by admin on Sat Dec 16 05:32:56 GMT 2023 , Edited by admin on Sat Dec 16 05:32:56 GMT 2023
PRIMARY
PUBCHEM
46173903
Created by admin on Sat Dec 16 05:32:56 GMT 2023 , Edited by admin on Sat Dec 16 05:32:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90984365
Created by admin on Sat Dec 16 05:32:56 GMT 2023 , Edited by admin on Sat Dec 16 05:32:56 GMT 2023
PRIMARY
FDA UNII
22HBQ1HBAP
Created by admin on Sat Dec 16 05:32:56 GMT 2023 , Edited by admin on Sat Dec 16 05:32:56 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT