NSC676788

Molecular Formula: C53H84O22


InChI: InChI=1/C53H84O22/c1-22-39(72-43-36(62)31(57)25(54)20-68-43)35(61)38(64)44(70-22)74-41-32(58)26(55)21-69-46(41)75-47(66)53-17-16-48(2,3)18-24(53)23-10-11-28-50(6)14-13-30(71-45-37(63)33(59)34(60)40(73-45)42(65)67-9)49(4,5)27(50)12-15-51(28,7)52(23,8)19-29(53)56/h10,22,24-41,43-46,54-64H,11-21H2,1-9H3/t22u,24-,25?,26?,27-,28+,29+,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40u,41?,43?,44?,45?,46?,50-,51+,52+,53+/m0/s1

InChIKey: InChIKey=CQOWKXHYGFCJHS-AXCTXYHEBH
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O

Names:
    methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aR,14aR,14bS)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-oxane-2-carboxylate
    NSC676788

Registries:
    PubChem CID 385532
    PubChem ID 8142453