Chebi:234164

Structural Information

Molecular Formula

C₆₉H₁₀₈O₃₆

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[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)O)O

InChI

InChI=1S/C69H108O36/c1-24-36(76)41(81)53(103-59-46(86)42(82)49(25(2)96-59)99-58-48(88)50(30(74)22-94-58)100-56-43(83)37(77)28(72)20-92-56)61(95-24)105-63(91)69-16-15-64(3,4)17-27(69)26-9-10-33-65(5)13-12-35(66(6,23-71)32(65)11-14-67(33,7)68(26,8)18-34(69)75)98-62-54(104-60-45(85)40(80)39(79)31(19-70)97-60)51(47(87)52(102-62)55(89)90)101-57-44(84)38(78)29(73)21-93-57/h9,23-25,27-54,56-62,70,72-88H,10-22H2,1-8H3,(H,89,90)/t24-,25+,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+,52+,53-,54-,56+,57+,58+,59+,60+,61+,62-,65+,66+,67-,68-,69-/m1/s1

InChIKey

QYEYUNQMZJCTDZ-IKDLZLCPSA-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)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-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 176454214