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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H42O11
Molecular Weight 566.6372
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ANTIARIN

SMILES

C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=MFIXZHBJWSBQJA-OZQKXHGLSA-N
InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-ANTIARIN
MI  
Common Name English
.ALPHA.-ANTIARIN [MI]
Preferred Name English
CARD-20(22)-ENOLIDE, 3-((6-DEOXY-.BETA.-D-GULOPYRANOSYL)OXY)-5,12,14-TRIHYDROXY-19-OXO-, (3.BETA.,5.BETA.,12.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
441842
Created by admin on Mon Mar 31 22:38:47 GMT 2025 , Edited by admin on Mon Mar 31 22:38:47 GMT 2025
PRIMARY
CAS
23605-05-2
Created by admin on Mon Mar 31 22:38:47 GMT 2025 , Edited by admin on Mon Mar 31 22:38:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID101318326
Created by admin on Mon Mar 31 22:38:47 GMT 2025 , Edited by admin on Mon Mar 31 22:38:47 GMT 2025
PRIMARY
WIKIPEDIA
Antiarin
Created by admin on Mon Mar 31 22:38:47 GMT 2025 , Edited by admin on Mon Mar 31 22:38:47 GMT 2025
PRIMARY
FDA UNII
VPM8C16434
Created by admin on Mon Mar 31 22:38:47 GMT 2025 , Edited by admin on Mon Mar 31 22:38:47 GMT 2025
PRIMARY
MERCK INDEX
m51
Created by admin on Mon Mar 31 22:38:47 GMT 2025 , Edited by admin on Mon Mar 31 22:38:47 GMT 2025
PRIMARY Merck Index