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 ABSOLUTE
Molecular Formula C21H20O13
Molecular Weight 480.3757
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GOSSYPITRIN

SMILES

OC[C@H]1O[C@@H](OC2=C(O)C3=C(C(=O)C(O)=C(O3)C4=CC=C(O)C(O)=C4)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=ATRBFJXIWFCIMW-ZGNDCXKCSA-N
InChI=1S/C21H20O13/c22-5-11-13(26)16(29)18(31)21(33-11)32-10-4-9(25)12-15(28)17(30)19(34-20(12)14(10)27)6-1-2-7(23)8(24)3-6/h1-4,11,13,16,18,21-27,29-31H,5H2/t11-,13-,16+,18-,21-/m1/s1

HIDE SMILES / InChI

Approval Year