Chebi:234178

Structural Information

Molecular Formula

C₇₀H₁₁₀O₃₆

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]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O[C@H]4CC[C@]5([C@H]([C@]4(C)C=O)CC[C@@]6([C@@H]5CC=C7[C@]6(C[C@H]([C@@]8([C@H]7CC(CC8)(C)C)C(=O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)C)O)O)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)C)C)C)C(=O)O)O)O)O)O

InChI

InChI=1S/C70H110O36/c1-24-36(76)40(80)45(85)59(95-24)102-52-48(88)53(56(90)91)103-63(55(52)105-61-46(86)41(81)39(79)31(20-71)98-61)99-35-13-14-66(6)32(67(35,7)23-72)12-15-68(8)33(66)11-10-27-28-18-65(4,5)16-17-70(28,34(75)19-69(27,68)9)64(92)106-62-54(42(82)37(77)25(2)96-62)104-60-47(87)43(83)50(26(3)97-60)100-58-49(89)51(30(74)22-94-58)101-57-44(84)38(78)29(73)21-93-57/h10,23-26,28-55,57-63,71,73-89H,11-22H2,1-9H3,(H,90,91)/t24-,25+,26-,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+,55+,57-,58-,59-,60-,61-,62-,63+,66-,67-,68+,69+,70+/m0/s1

InChIKey

BFXJSLVNKNCOJG-POELQROXSA-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,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid

Related CIDs

• CID 176454222