methyl (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-(acetyloxymethyl)-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]-3,4-diacetyloxy-5-[(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxycarbonyl-oxan-2-yl]oxy-oxane-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)OC(=O)C)OC(=O)C)OC7C(C(C(C(O7)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C2C1)C)C)C

Isomeric SMILES

CC(=O)OC[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)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)C)C)[C@@H]2C1)C)C)C

InChI

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