[(2S,3R,4S,6R)-2-[[(2S,3R,6R,7S,8S,9R,10R)-3-[(4R,5R)-5-ethyl-4-methyl-2-oxidanylidene-1,3-dioxolan-4-yl]-2,6,8,10,12-pentamethyl-7-oxidanyl-5-oxidanylidene-4,13-dioxabicyclo[8.2.1]tridecan-9-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(2S,3R,6R,7S,8S,9R,10R)-3-[(4R,5R)-5-ethyl-4-methyl-2-oxidanylidene-1,3-dioxolan-4-yl]-2,6,8,10,12-pentamethyl-7-oxidanyl-5-oxidanylidene-4,13-dioxabicyclo[8.2.1]tridecan-9-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-[[(2S,3R,6R,7S,8S,9R,10R)-3-[(4R,5R)-5-ethyl-4-methyl-2-oxo-1,3-dioxolan-4-yl]-7-hydroxy-2,6,8,10,12-pentamethyl-5-oxo-4,13-dioxabicyclo[8.2.1]tridecan-9-yl]oxy]-6-methyl-tetrahydropyran-3-yl] carbonate CAS Name: carbonic acid [(2S,3R,4S,6R)-2-[[(2S,3R,6R,7S,8S,9R,10R)-3-[(4R,5R)-5-ethyl-4-methyl-2-oxo-1,3-dioxolan-4-yl]-7-hydroxy-2,6,8,10,12-pentamethyl-5-oxo-4,13-dioxabicyclo[8.2.1]tridecan-9-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-3-oxanyl] (phenylmethyl) ester IUPAC Name: benzyl [(2S,3R,4S,6R)-2-[[(2S,3R,6R,7S,8S,9R,10R)-3-[(4R,5R)-5-ethyl-4-methyl-2-oxo-1,3-dioxolan-4-yl]-7-hydroxy-2,6,8,10,12-pentamethyl-5-oxo-4,13-dioxabicyclo[8.2.1]tridecan-9-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-[[(2S,3R,6R,7S,8S,9R,10R)-3-[(4R,5R)-5-ethyl-2-keto-4-methyl-1,3-dioxolan-4-yl]-7-hydroxy-5-keto-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-9-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C45H61NO14 MolecularWeight: 839.96414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(OC(=O)O1)(C)C2C(C3C(CC(O3)(C(C(C(C(C(=O)O2)C)O)C)OC4C(C(CC(O4)C)N(C)C(=O)OCC5=CC=CC=C5)OC(=O)OCC6=CC=CC=C6)C)C)C

Isomeric SMILES

CC[C@@H]1[C@](OC(=O)O1)(C)[C@H]2[C@H](C3C(C[C@@](O3)([C@@H]([C@H]([C@@H]([C@H](C(=O)O2)C)O)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(=O)OCC5=CC=CC=C5)OC(=O)OCC6=CC=CC=C6)C)C)C

InChI

InChI=1S/C45H61NO14/c1-10-33-45(8,60-43(51)55-33)38-29(6)35-25(2)22-44(7,59-35)37(27(4)34(47)28(5)39(48)57-38)58-40-36(56-42(50)53-24-31-19-15-12-16-20-31)32(21-26(3)54-40)46(9)41(49)52-23-30-17-13-11-14-18-30/h11-20,25-29,32-38,40,47H,10,21-24H2,1-9H3/t25?,26-,27+,28-,29+,32+,33-,34+,35?,36-,37-,38-,40+,44-,45-/m1/s1