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

Structural Information

Molecular Formula

C₈₄H₁₃₄O₄₀

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=CC[C@@H]6[C@]7(CC[C@@H](C([C@@H]7CC[C@]6([C@@]5(C[C@@H]4O)C)C)(C)CO)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[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)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)O)O)O)O)O

InChI

InChI=1S/C84H134O40/c1-13-79(8,124-73-67(106)68(44(32-113-73)115-50(89)23-34(2)3)122-75-65(104)58(97)53(92)40(27-85)116-75)20-14-15-35(4)69(107)120-49-26-84(77(108)123-76-66(105)60(99)55(94)42(119-76)31-112-71-63(102)57(96)51(90)36(5)114-71)38(24-78(49,6)7)37-16-17-46-80(9)21-19-48(81(10,33-86)45(80)18-22-82(46,11)83(37,12)25-47(84)88)121-74-64(103)59(98)54(93)41(118-74)29-110-70-62(101)56(95)43(30-111-70)117-72-61(100)52(91)39(87)28-109-72/h13,15-16,34,36,38-49,51-68,70-76,85-88,90-106H,1,14,17-33H2,2-12H3/b35-15+/t36-,38?,39+,40+,41+,42+,43+,44-,45+,46+,47-,48-,49-,51-,52-,53+,54+,55+,56-,57+,58-,59-,60-,61+,62+,63+,64+,65+,66+,67+,68-,70+,71+,72+,73-,74-,75-,76-,79+,80-,81?,82+,83+,84?/m0/s1

InChIKey

FOGVFBHSDRPKPD-BLHKHPEHSA-N

Compound name

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

Related CIDs

• CID 6475458