Prieurianin

Molecular Formula: C38H50O16


InChI: InChI=1/C38H50O16/c1-10-19(2)31(45)34(46)53-33-32(51-18-39)30(20(3)38(47)26(42)13-24(37(33,38)8)23-11-12-49-16-23)36(7)25(14-28(43)48-9)35(6,17-50-21(4)40)54-29(44)15-27(36)52-22(5)41/h11-12,16,18-19,24-25,27,30-33,45,47H,3,10,13-15,17H2,1-2,4-9H3/t19-,24-,25+,27+,30+,31-,32-,33+,35-,36+,37-,38-/m1/s1

InChIKey: InChIKey=LRLMYQFHTXHFRH-RUPODZMKBH
SMILES: CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O

Names:
    A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-21,23-epoxy-11-(formyloxy)-14-hydroxy-12-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)-
    NSC 312621
    Prieurianin
    57672-91-0
    [(3S,3aR,4S,5R,6S,7aR)-6-[(2R,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(methoxycarbonylmethyl)-2,4-dimethyl-7-oxo-oxepan-4-yl]-5-formyloxy-3-(3-furyl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methyl-pentanoate

Registries:
    PubChem CID 73600
    PubChem ID 215836