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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O13
Molecular Weight 564.5352
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASCAROSIDE D

SMILES

CC1=CC(O)=C2C(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC=C3[C@@H]([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C2=C1

InChI

InChIKey=GQPFUOPPYJYZHE-OPEXUXIQSA-N
InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year