Quil a

Structural Information

Molecular Formula

C₇₈H₁₂₆O₄₅

SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC([C@@]5(C4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O

InChI

InChI=1S/C78H126O45/c1-73(2)13-14-78(72(107)123-71-57(106)63(47(96)35(24-86)115-71)122-70-56(105)62(46(95)34(23-85)114-70)121-69-55(104)61(45(94)33(22-84)113-69)120-68-54(103)60(44(93)32(21-83)112-68)118-65-51(100)49(98)41(90)29(18-80)109-65)27(15-73)26-7-8-37-74(3)11-10-39(75(4,25-87)36(74)9-12-76(37,5)77(26,6)16-38(78)88)116-66-52(101)58(42(91)30(19-81)110-66)119-67-53(102)59(43(92)31(20-82)111-67)117-64-50(99)48(97)40(89)28(17-79)108-64/h7,25,27-71,79-86,88-106H,8-24H2,1-6H3/t27?,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-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,74+,75+,76-,77-,78-/m1/s1

InChIKey

UZQJVUCHXGYFLQ-AYDHOLPZSA-N

Compound name

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

Related CIDs

• CID 56841866