U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry UNKNOWN
Molecular Formula C40H44O13
Molecular Weight 732.7696
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARCTIGNAN E

SMILES

COC1=CC(C[C@H]2COC(=O)[C@@H]2CC3=CC(C(CO)C(O)C4=CC=C(O)C(OC)=C4)=C(O)C(OC)=C3)=CC5=C1O[C@@H]([C@H]5CO)C6=CC(OC)=C(O)C=C6

InChI

InChIKey=BQAUNBCJFDCZFB-FGEPHIOBSA-N
InChI=1S/C40H44O13/c1-48-32-15-22(5-7-30(32)43)36(45)28(17-41)26-11-21(13-34(50-3)37(26)46)10-25-24(19-52-40(25)47)9-20-12-27-29(18-42)38(53-39(27)35(14-20)51-4)23-6-8-31(44)33(16-23)49-2/h5-8,11-16,24-25,28-29,36,38,41-46H,9-10,17-19H2,1-4H3/t24-,25+,28?,29-,36?,38+/m0/s1

HIDE SMILES / InChI

Approval Year