U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H52O6
Molecular Weight 556.7731
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEDERAGENIN DIACETATE

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=ALRXJQODPMIUEI-WZMLTRNISA-N
InChI=1S/C34H52O6/c1-21(35)39-20-31(6)25-11-14-33(8)26(30(25,5)13-12-27(31)40-22(2)36)10-9-23-24-19-29(3,4)15-17-34(24,28(37)38)18-16-32(23,33)7/h9,24-27H,10-20H2,1-8H3,(H,37,38)/t24-,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HEDERAGENIN DIACETATE
MI  
Common Name English
HEDERAGENIN DIACETATE [MI]
Common Name English
OLEAN-12-EN-28-OIC ACID, 3.BETA.,23-DIHYDROXY-, DIACETATE
Common Name English
O,O-DIACETYLHEDERAGENIN
Common Name English
OLEAN-12-EN-28-OIC ACID, 3,23-BIS(ACETYLOXY)-, (3.BETA.,4.ALPHA.)-
Common Name English
DIACETYLHEDERAGENIN
Common Name English
Code System Code Type Description
FDA UNII
V10FP6N5VT
Created by admin on Sat Dec 16 01:57:30 GMT 2023 , Edited by admin on Sat Dec 16 01:57:30 GMT 2023
PRIMARY
MERCK INDEX
m5929
Created by admin on Sat Dec 16 01:57:30 GMT 2023 , Edited by admin on Sat Dec 16 01:57:30 GMT 2023
PRIMARY Merck Index
CAS
5672-32-2
Created by admin on Sat Dec 16 01:57:30 GMT 2023 , Edited by admin on Sat Dec 16 01:57:30 GMT 2023
PRIMARY
PUBCHEM
14191853
Created by admin on Sat Dec 16 01:57:30 GMT 2023 , Edited by admin on Sat Dec 16 01:57:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID10205281
Created by admin on Sat Dec 16 01:57:30 GMT 2023 , Edited by admin on Sat Dec 16 01:57:30 GMT 2023
PRIMARY