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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26O13
Molecular Weight 534.4661
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUBERYTHRIC ACID

SMILES

O[C@@H]1CO[C@@H](OC[C@H]2O[C@@H](OC3=CC=C4C(=O)C5=C(C=CC=C5)C(=O)C4=C3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

InChI

InChIKey=GCGGSVAWTYHZBI-CVQRFVFPSA-N
InChI=1S/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2/t12-,14-,18+,20-,21+,22-,23-,24+,25-/m1/s1

HIDE SMILES / InChI

Approval Year