methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxy-oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxy-oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-diacetyloxy-6-(acetyloxymethyl)-3-oxanyl]oxy]-3,4,5-triacetyloxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-methoxycarbonyl-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-carbomethoxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C56H82O20 MolecularWeight: 1075.23828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C(=O)OC)C)C)C)C)OC7C(C(C(C(O7)C(=O)OC)OC(=O)C)OC(=O)C)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]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@H]5C[C@@](CC6)(C)C(=O)OC)C)C)C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C56H82O20/c1-28(57)67-27-36-40(68-29(2)58)41(69-30(3)59)46(76-49-45(72-33(6)62)43(71-32(5)61)42(70-31(4)60)44(75-49)47(63)65-14)48(73-36)74-39-19-20-54(11)37(51(39,7)8)18-21-56(13)38(54)17-16-34-35-26-53(10,50(64)66-15)23-22-52(35,9)24-25-55(34,56)12/h16,35-46,48-49H,17-27H2,1-15H3/t35-,36+,37-,38+,39-,40+,41-,42-,43-,44-,45+,46+,48+,49-,52+,53-,54-,55+,56+/m0/s1