PTAQUILOSIDE

Molecular Formula: C20H30O8


InChI: InChI=1/C20H30O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,13-17,21,23-26H,4-6,8H2,1-3H3/t9-,11-,13-,14+,15-,16-,17?,18+,20?/m1/s1

InChIKey: InChIKey=GPHSJPVUEZFIDE-DUDRLGIABI
SMILES: CC1CC2(C=C(C3(CC3)C(C2C1=O)(C)O)C)OC4C(C(C(C(O4)CO)O)O)O

Names:
    Braxin C
    CCRIS 1591
    piro(cyclopropane-1,5'-(5H)indan)-3'(2'H)-one, 7'a-(beta-D-glucopyranosyloxy)-1',3'a,4',7'a-tetrahydro-4'-hydroxy-2',4',6'-trimethyl-, (2'R-(2'alpha,3'aalpha,4'beta.7'aalpha))-
    PTAQUILOSIDE
    Spiro(cyclopropane-1,5'-(5H)indan)-3'(2'H)-one, 7'a-(beta-D-glucopyranosyloxy)-1',3'a,4',7'a-tetrahydro-4'-hydroxy-2',4',6'-trimethyl-, (2'R,3'aR,4'S,7'aR)-
    Spiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one, 1',3'-alpha,4',7'-alpha-tetrahydro-7'-alpha-(beta-D-glucopyranosyloxy)-4'-hydroxy-2',4',6'-trimethyl-
    (2R,7S,7aR)-7-hydroxy-2,5,7-trimethyl-3a-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-spiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one
    87625-62-5

Registries:
    PubChem CID 62298
    PubChem ID 199649