2-butenoic acid, 2-methyl-, (3r,4r,4ar,5r,6as,6br,10s,12ar,14as,16s)-10-[[o-6-deoxy-.alpha.-l-mannopyranosyl-(1->2)-o-.beta.-d-galactopyranosyl-(1->3)-o-[.beta.-d-galactopyranosyl-(1->2)]-.beta.-d-glucopyranosyl]oxy]octadecahydro-4,5,16-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-2h,5h-14a,4a-(epoxymethano)picen-3-yl ester, (2e)-

Structural Information

Molecular Formula

C₅₉H₉₆O₂₆

SMILES

C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@]23[C@@H](C[C@]4([C@@]5(CCC6[C@@](C5CC[C@@]4(C2CC1(C)C)O[C@@H]3O)(CC[C@@H](C6(C)C)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)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)C)O)O

InChI

InChI=1S/C59H96O26/c1-11-23(2)47(74)84-46-45(73)59-30(18-53(46,4)5)58(85-52(59)75)17-13-29-55(8)15-14-32(54(6,7)28(55)12-16-56(29,9)57(58,10)19-31(59)63)80-51-44(83-49-41(72)38(69)34(65)25(20-60)77-49)42(36(67)27(22-62)79-51)81-50-43(39(70)35(66)26(21-61)78-50)82-48-40(71)37(68)33(64)24(3)76-48/h11,24-46,48-52,60-73,75H,12-22H2,1-10H3/b23-11+/t24-,25+,26+,27+,28?,29?,30?,31+,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43+,44+,45-,46-,48-,49-,50-,51-,52-,55-,56+,57-,58-,59+/m0/s1

InChIKey

QWKDHDNZUMSQQT-QVTHWRQPSA-N

Compound name

[(1R,2R,4S,5R,10S,13R,17S,21R,22R,23S)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,22,23-trihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-21-yl] (E)-2-methylbut-2-enoate

Related CIDs

• CID 6478539