Spinoside A




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Molecular Formula: C39H56O12


InChI: InChI=1/C39H56O12/c1-20(40)49-26-19-48-33(30(29(26)44)50-21(2)41)51-25-18-38(9)27-12-11-22-23(17-24(42)32(45)35(22,5)6)36(27,7)15-16-37(38,8)31(25)39(10,47)28(43)13-14-34(3,4)46/h11,13-14,17,23,25-27,29-31,33,42,44,46-47H,12,15-16,18-19H2,1-10H3/b14-13+/t23-,25-,26+,27-,29+,30-,31+,33+,36+,37-,38+,39+/m1/s1

InChIKey: InChIKey=UODJOGKPOAZZHT-OCCINUARBF
SMILES: CC(=O)OC1COC(C(C1O)OC(=O)C)OC2CC3(C4CC=C5C(C4(CCC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)C=C(C(=O)C5(C)C)O)C

Names:
    C08809
    Spinoside A
    119626-74-3
    [(3S,4S,5R,6S)-5-acetyloxy-6-[[(8R,9R,10S,13R,14S,16R,17S)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2-hydroxy-4,4,9,13,14-pentamethyl-3-oxo-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-oxan-3-yl] acetate

Registries:
    ChemSpider: InChIKey=UODJOGKPOAZZHT-OCCINUARBF
    PubChem CID 5281325
    PubChem ID 11002


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