scilliroside

[1. Glycoside from red squill, the red variety of Urginea maritima (family Liliaceae); used as a rodenticide.

Molecular Formula: C₃₃H₄₆O₁₁

InChI: InChI=1/C33H46O11/c1-17(35)42-22-14-32(4)24(9-11-31(3)20(8-12-33(31,32)40)18-5-6-25(36)41-16-18)30(2)10-7-19(13-21(22)30)43-29-28(39)27(38)26(37)23(15-34)44-29/h5-6,13,16,19-20,22-24,26-29,34,37-40H,7-12,14-15H2,1-4H3/t19-,20+,22+,23+,24+,26+,27-,28+,29+,30-,31+,32+,33+/m0/s1

InChIKey: InChIKey=ZAXLKOUOBYJMHS-QNBHOGDNBJ
SMILES: [H][C@@]1(CC[C@@]2(O)[C@]1(C)CC[C@]3([H])[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4[C@@H](C[C@@]23C)OC(C)=O)C6=COC(=O)C=C6

CAS number 507-60-8

Names:
    CHEBI:28332
    SCILLIROSIDE
    Scilliroside
    scilliroside
    Scillirosidin 3-O-beta-D-glucoside
    507-60-8
    6beta-acetoxy-3beta-(beta-D-glucopyranosyloxy)-8alpha,14-dihydroxybufa-4,20,22-trienolide
    [(3S,6R,8R,9R,10R,13R,14R,17S)-14-hydroxy-8,10,13-trimethyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate

Registries:
    PubChem CID 11966157
    CAS 507-60-8 (from NIST)
    ChEBI 28332
    Kegg C08880
    PubChem ID 11073
    PubChem ID 17425016