Ns00093723

Structural Information

Molecular Formula

C₅₉H₉₄O₃₀

SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)(C)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O

InChI

InChI=1S/C59H94O30/c1-54(2)13-14-59(23(15-54)22-7-8-29-55(3)11-10-32(87-49-41(72)33(64)24(62)19-80-49)58(6,52(77)78)30(55)9-12-56(29,4)57(22,5)16-31(59)63)53(79)89-51-45(76)46(88-50-44(75)39(70)35(66)26(18-61)84-50)37(68)28(86-51)21-82-48-43(74)40(71)36(67)27(85-48)20-81-47-42(73)38(69)34(65)25(17-60)83-47/h7,23-51,60-76H,8-21H2,1-6H3,(H,77,78)/t23-,24+,25+,26+,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-,55+,56+,57+,58-,59+/m0/s1

InChIKey

SXWOFRLEPIYRBS-VOYPCYNFSA-N

Compound name

(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxycarbonyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid

Related CIDs

• CID 21670101
• CID 132472102