Primulic acid

Molecular Formula: C54H88O23


InChI: InChI=1/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22u,24u,25u,26u,27u,28u,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43u,45?,46?,47?,48?,51+,52-,53-,54-/m1/s1/f/h68H

InChIKey: InChIKey=LDPKDIVFHXKSCE-UKZORTRDDX
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)CO)O)C)C)C)C(=O)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)O

Names:
    NSC409073
    Primulic acid
    53078-36-7
    6-[[(3S,6aR,6bS,8R,8aR,14bS)-8-hydroxy-8a-(hydroxymethyl)-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]-4-hydroxy-5-(3,4,5-trihydroxy-6-methyl-oxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxane-2-carboxylic acid

Registries:
    PubChem CID 5458957
    PubChem ID 8141768