Pittoside A

Molecular Formula: C₄₁H₆₈O₁₃

InChI: InChI=1/C41H68O13/c1-19-31(54-34-29(47)27(45)22(43)17-51-34)28(46)30(48)35(52-19)53-26-12-13-38(6)23(37(26,4)5)11-14-39(7)24(38)10-9-20-21-15-36(2,3)32(49)33(50)41(21,18-42)16-25(44)40(20,39)8/h9,19,21-35,42-50H,10-18H2,1-8H3/t19-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31-,32-,33-,34-,35-,38-,39+,40-,41-/m0/s1

InChIKey: InChIKey=XDUHPWUVLBIBFS-GLVVCSOHBJ
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(C(CC6(C5CC(C(C6O)O)(C)C)CO)O)C)C)C)O)O)OC7C(C(C(CO7)O)O)O

Names:
    C08969
    Pittoside A
    (2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,7S,8aS,9S,10S,12aR,14aR,14bS)-7,9,10-trihydroxy-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]-4,5-dihydroxy-2-methyl-oxan-3-yl]oxyoxane-3,4,5-triol
    75303-44-5

Registries:
    PubChem CID 441940
    PubChem ID 11161