SCILLAREN A

Molecular Formula: C₃₆H₅₂O₁₃

InChI: InChI=1/C36H52O13/c1-17-26(39)31(49-32-29(42)28(41)27(40)24(15-37)48-32)30(43)33(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17u,20-,21+,22-,23+,24u,26?,27?,28?,29?,30?,31?,32?,33?,34-,35+,36-/m0/s1

InChIKey: InChIKey=SANIPSLLLIEJOB-JUQAJMIQBX
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O

Names:
    Glucoproscillaridin A
    NSC7525
    SCILLAREN A
    124-99-2
    5-[(3S,8R,9S,10R,13R,14S,17S)-3-[3,5-dihydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Registries:
    PubChem CID 222156
    PubChem ID 73371