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)/t22-,24-,25+,26+,27-,28+,29?,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46-,47-,48+,51-,52+,53+,54+/m0/s1/f/h68H

InChIKey: InChIKey=LDPKDIVFHXKSCE-XOVXQPBXDG
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:
    beta-D-Galactopyranosiduronic acid, (3beta,16alpha)-16,28-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-beta-D-galactopyranosyl-(1- 4))- (9CI)
    BRN 0078553
    NSC 409073
    Primulasaure [German]
    Primulic acid
    (2S,3R,4R,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,12aR,14aR,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-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-oxane-2-carboxylic acid
    4-18-00-05150 (Beilstein Handbook Reference)
    53078-36-7

Registries:
    PubChem CID 73506
    PubChem ID 215747