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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O8
Molecular Weight 502.5965
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CKD-731

SMILES

[H][C@@]1([C@H](OC)[C@@H](CC[C@]12CO2)OC(=O)\C=C\C3=CC(OC)=C(OC)C(OC)=C3)[C@@]4(C)O[C@@H]4CC=C(C)C

InChI

InChIKey=YALIVVKJRYVKNB-GGHPKCFRSA-N
InChI=1S/C28H38O8/c1-17(2)8-10-22-27(3,36-22)26-25(33-7)19(12-13-28(26)16-34-28)35-23(29)11-9-18-14-20(30-4)24(32-6)21(15-18)31-5/h8-9,11,14-15,19,22,25-26H,10,12-13,16H2,1-7H3/b11-9+/t19-,22-,25-,26-,27+,28+/m1/s1

HIDE SMILES / InChI

Approval Year