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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42O9
Molecular Weight 546.6491
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCILLIPHAEOSIDE

SMILES

C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4C[C@@H](O)[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CCC3=C2)C6=COC(=O)C=C6)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=ZBAPFMPUNXTWQQ-PVLLBMPJSA-N
InChI=1S/C30H42O9/c1-15-24(33)25(34)26(35)27(38-15)39-18-8-10-28(2)17(12-18)5-6-20-21(28)13-22(31)29(3)19(9-11-30(20,29)36)16-4-7-23(32)37-14-16/h4,7,12,14-15,18-22,24-27,31,33-36H,5-6,8-11,13H2,1-3H3/t15-,18-,19+,20+,21-,22+,24-,25+,26+,27-,28-,29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year