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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H52O14
Molecular Weight 696.779
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ERYSIMOSIDE

SMILES

[H][C@@]1(C[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1)O[C@H]3CC[C@]4(C=O)[C@@]5([H])CC[C@]6(C)[C@H](CC[C@]6(O)[C@]5([H])CC[C@]4(O)C3)C7=CC(=O)OC7

InChI

InChIKey=KQBVSIZPUWODNU-VRQSBXMXSA-N
InChI=1S/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1

HIDE SMILES / InChI

Approval Year