[(2s,3r,4s,5s,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-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3s,5r,6as,6br,10s,12ar)-10-[(2r,3r,4s,5s,6r)-6-[[(2s,3r,4s,5s)-4,5-dihydroxy-3-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-[(2e,6s)-6-[(2s,3r,4r,5s)-3-hydroxy-5-(3-methylbutanoyloxy)-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Structural Information

Molecular Formula

C₁₀₀H₁₆₀O₅₁

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C34C[C@@H](C(CC3C5=CCC6[C@]7(CC[C@@H](C(C7CC[C@]6([C@@]5(C[C@H]4O)C)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O)O)C)(C)C)OC(=O)/C(=C/CC[C@@](C)(C=C)O[C@H]1[C@@H]([C@H]([C@H](CO1)OC(=O)CC(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)/C)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)O)O)O)O

InChI

InChI=1S/C100H160O51/c1-15-96(11,151-87-76(127)79(50(36-135-87)139-56(107)25-37(2)3)147-90-73(124)65(116)61(112)47(29-101)140-90)22-16-17-38(4)82(128)143-55-28-100(93(129)150-92-81(67(118)63(114)49(142-92)34-134-83-71(122)64(115)57(108)39(5)137-83)149-88-74(125)68(119)77(40(6)138-88)145-86-75(126)78(46(105)33-132-86)146-84-69(120)58(109)43(102)30-130-84)42(26-94(55,7)8)41-18-19-52-97(12)23-21-54(95(9,10)51(97)20-24-98(52,13)99(41,14)27-53(100)106)144-89-72(123)66(117)62(113)48(141-89)35-136-91-80(60(111)45(104)32-133-91)148-85-70(121)59(110)44(103)31-131-85/h15,17-18,37,39-40,42-55,57-81,83-92,101-106,108-127H,1,16,19-36H2,2-14H3/b38-17+/t39-,40-,42?,43+,44+,45-,46+,47+,48+,49+,50-,51?,52?,53+,54-,55-,57-,58-,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79-,80+,81+,83+,84-,85-,86-,87-,88-,89-,90-,91-,92-,96+,97-,98+,99+,100?/m0/s1

InChIKey

DVOBOPZAKSMOOU-MBGFYIBASA-N

Compound name

[(2S,3R,4S,5S,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-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3S,5R,6aS,6bR,10S,12aR)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-[(2E,6S)-6-[(2S,3R,4R,5S)-3-hydroxy-5-(3-methylbutanoyloxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Related CIDs

• CID 6475389