methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aS)-8-oxidanyl-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Systemtic Name: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aS)-8-oxidanyl-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Openeye Name: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aS)-8-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aS)-8-hydroxy-2-phenyl-7-[[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aS)-8-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate Traditional Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[[(2R,4aR,6R,7R,8S,8aS)-8-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid methyl ester Formula: C58H80O18 MolecularWeight: 1065.245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(C3C(COC(O3)C4=CC=CC=C4)OC2OC5CCC6(C(C5(C)C)CCC7(C6C(=O)C=C8C7(CCC9(C8CC(CC9)(C)C(=O)OC)C)C)C)C)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)O[C@H]2O[C@H]5CC[C@]6([C@H](C5(C)C)CC[C@@]7([C@@H]6C(=O)C=C8[C@]7(CC[C@@]9([C@H]8C[C@@](CC9)(C)C(=O)OC)C)C)C)C)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C58H80O18/c1-30(59)67-28-39-44(69-31(2)60)46(70-32(3)61)47(71-33(4)62)51(73-39)76-45-42(64)43-38(29-68-49(75-43)34-16-14-13-15-17-34)72-50(45)74-41-19-20-56(9)40(53(41,5)6)18-21-58(11)48(56)37(63)26-35-36-27-55(8,52(65)66-12)23-22-54(36,7)24-25-57(35,58)10/h13-17,26,36,38-51,64H,18-25,27-29H2,1-12H3/t36-,38+,39+,40-,41-,42-,43+,44-,45+,46-,47+,48+,49+,50-,51-,54+,55-,56-,57+,58+/m0/s1