(2s,3s,4s,5r,6r)-6-[[(2s,3r,4r,4ar,5r,6ar,6bs,8r,8ar,12as,14ar,14bs)-8a-[(2s,3r,4s,5s)-3-[(2s,3r,4s,5r,6s)-5-[(2s,3r,4s,5r)-3,5-dihydroxy-4-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,5,8-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,12a,14a,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Structural Information

Molecular Formula

C₆₀H₉₆O₂₉

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](CO[C@H]([C@@H]2O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@H](CO[C@H]4OC(=O)[C@]56CCC(C[C@]5(C7=CC[C@@]8([C@]9(C[C@@H]([C@@H]([C@@]([C@@H]9[C@@H](C[C@]8([C@@]7(C[C@H]6O)C)C)O)(C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)C)C)C)(C)C)O)O)C)O)O)O)O

InChI

InChI=1S/C60H96O29/c1-22-30(67)32(69)36(73)48(82-22)85-41-27(65)19-80-47(39(41)76)84-40-23(2)83-49(38(75)35(40)72)87-43-31(68)26(64)18-81-51(43)89-52(79)60-14-13-53(3,4)20-57(60,8)28-11-12-58(9)56(7)15-25(63)45(88-50-37(74)33(70)34(71)42(86-50)46(77)78)54(5,21-61)44(56)24(62)16-59(58,10)55(28,6)17-29(60)66/h11,22-27,29-45,47-51,61-76H,12-21H2,1-10H3,(H,77,78)/t22-,23-,24+,25-,26-,27+,29+,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44-,45-,47-,48-,49-,50-,51-,54-,55+,56-,57-,58+,59-,60+/m0/s1

InChIKey

ZCCGILRWRJGCIH-FEOMDBNRSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,5R,6aR,6bS,8R,8aR,12aS,14aR,14bS)-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-2,5,8-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,12a,14a,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 464988