NSC676776

Molecular Formula: C₆₇H₁₀₆O₃₃

InChI: InChI=1/C67H106O33/c1-25-47(94-57-44(81)48(32(72)24-90-57)95-54-40(77)36(73)28(68)20-87-54)50(97-56-42(79)38(75)30(70)22-89-56)46(83)58(92-25)99-52-39(76)31(71)23-91-60(52)100-61(86)67-17-15-62(2,3)19-27(67)26-9-10-34-64(6)13-12-35(63(4,5)33(64)11-14-66(34,8)65(26,7)16-18-67)93-59-45(82)49(43(80)51(98-59)53(84)85)96-55-41(78)37(74)29(69)21-88-55/h9,25,27-52,54-60,68-83H,10-24H2,1-8H3,(H,84,85)/t25u,27-,28?,29?,30?,31?,32?,33-,34+,35-,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51u,52?,54?,55?,56?,57?,58?,59?,60?,64-,65+,66+,67-/m0/s1/f/h84H

InChIKey: InChIKey=AUWIBYQJUPOTCJ-JRZRUJFZDK
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)OC9C(C(C(CO9)O)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O

Names:
    NSC676776
    6-[[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bS)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxy-oxan-2-yl]oxy-4,5-dihydroxy-oxan-2-yl]oxycarbonyl-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]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 385524
    PubChem ID 8142447