[(2S,3R,4S,6R)-2-[[(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-8-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-14-oxidanyl-10,16-bis(oxidanylidene)-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-8-[(2R,4S,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-14-oxidanyl-10,16-bis(oxidanylidene)-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate Openeye Name: benzyl [(2S,3R,4S,6R)-4-[benzyloxycarbonyl(methyl)amino]-2-[[(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] carbonate CAS Name: carbonic acid [(2S,3R,4S,6R)-2-[[(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-14-hydroxy-8-[[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-3-oxanyl] (phenylmethyl) ester IUPAC Name: benzyl [(2S,3R,4S,6R)-2-[[(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] carbonate Traditional Name: carbonic acid benzyl [(2S,3R,4S,6R)-4-[carbobenzoxy(methyl)amino]-2-[[(3S,5S,6S,7R,8S,9R,12R,13R,14S,15R)-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,16-diketo-5,7,9,12,13,15-hexamethyl-2,11-dioxaspiro[2.13]hexadecan-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C50H71NO16 MolecularWeight: 942.09584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)OC(=O)OCC5=CC=CC=C5)N(C)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)OC(=O)OCC5=CC=CC=C5)N(C)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C50H71NO16/c1-27-23-50(26-61-50)45(54)30(4)40(52)29(3)33(7)64-46(55)32(6)43(65-39-22-38(58-10)41(53)34(8)63-39)31(5)42(27)66-47-44(67-49(57)60-25-36-19-15-12-16-20-36)37(21-28(2)62-47)51(9)48(56)59-24-35-17-13-11-14-18-35/h11-20,27-34,37-44,47,52-53H,21-26H2,1-10H3/t27-,28+,29-,30+,31+,32+,33+,34-,37-,38-,39-,40-,41-,42-,43-,44+,47-,50-/m0/s1