[(2s,3r,4s,5s)-3-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] (4ar,5r,6as,6br,10r,11s,12ar,14bs)-10-[(3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Structural Information

Molecular Formula

C₅₈H₉₄O₂₉

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]2OC(=O)[C@]34CCC(C[C@H]3C5=CCC6[C@]([C@@]5(C[C@H]4O)C)(CCC7[C@@]6(C[C@@H]([C@@H](C7(CO)CO)OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)OC9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)(C)C)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O

InChI

InChI=1S/C58H94O29/c1-22-43(83-47-39(73)33(67)26(65)19-78-47)38(72)41(75)48(79-22)85-45-36(70)29(18-61)82-51(45)87-52(77)58-12-11-53(2,3)13-24(58)23-7-8-30-54(4)14-25(64)46(57(20-62,21-63)31(54)9-10-55(30,5)56(23,6)15-32(58)66)86-50-42(76)44(35(69)28(17-60)81-50)84-49-40(74)37(71)34(68)27(16-59)80-49/h7,22,24-51,59-76H,8-21H2,1-6H3/t22-,24-,25-,26+,27+,28+,29-,30?,31?,32+,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48-,49?,50?,51-,54+,55+,56+,58+/m0/s1

InChIKey

URDOJLJSSZGDFZ-AYWIJPCESA-N

Compound name

[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] (4aR,5R,6aS,6bR,10R,11S,12aR,14bS)-10-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Related CIDs

• CID 86578027