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 RACEMIC
Molecular Formula C26H30O4
Molecular Weight 406.514
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PANDURATIN A

SMILES

COC1=CC(O)=C(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2C3=CC=CC=C3)C(O)=C1

InChI

InChIKey=LYDZCXVWCFJAKQ-ZFGGDYGUSA-N
InChI=1S/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(18-8-6-5-7-9-18)24(20)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed