Chebi:234167

Structural Information

Molecular Formula

C₆₄H₁₀₀O₃₂

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)[C@]23CCC(C[C@H]2C4=CC[C@@H]5[C@]6(CC[C@@H]([C@@]([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)(C)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O

InChI

InChI=1S/C64H100O32/c1-23-34(70)39(75)49(94-54-44(80)40(76)46(24(2)88-54)91-52-41(77)35(71)27(67)20-85-52)56(87-23)96-58(84)64-16-15-59(3,4)17-26(64)25-9-10-31-60(5)13-12-33(61(6,22-66)30(60)11-14-62(31,7)63(25,8)18-32(64)69)90-57-50(95-55-43(79)38(74)37(73)29(19-65)89-55)47(45(81)48(93-57)51(82)83)92-53-42(78)36(72)28(68)21-86-53/h9,22-24,26-50,52-57,65,67-81H,10-21H2,1-8H3,(H,82,83)/t23-,24+,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-,52+,53+,54+,55+,56+,57-,60+,61+,62-,63-,64-/m1/s1

InChIKey

KCNPQSCMQJNUQB-OQVFFQMRSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-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-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid

Related CIDs

• CID 176454216