(2S,3R,4R,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxy-oxan-2-yl]oxy-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide

Systemtic Name: (2S,3R,4R,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-bis(oxidanylidene)-7-(2-oxidanylideneethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxy-oxan-2-yl]oxy-N,N,6-trimethyl-3-oxidanyl-oxan-4-amine oxide Openeye Name: (2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-benzyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3-hydroxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-N,N,6-trimethyl-tetrahydropyran-4-amine oxide CAS Name: (2S,3R,4R,5S,6R)-3-hydroxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-(1-oxopropoxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxy-2-oxanyl]oxy]-N,N,6-trimethyl-4-oxanamine oxide IUPAC Name: (2S,3R,4R,5S,6R)-3-hydroxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-phenylmethoxyoxan-2-yl]oxy-N,N,6-trimethyloxan-4-amine oxide Traditional Name: (2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-benzoxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2-[[(4R,5S,6S,7R,9R,11E,13E,16R)-2,10-diketo-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-4-propionyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-3-hydroxy-N,N,6-trimethyl-tetrahydropyran-4-amine oxide Formula: C46H69NO15 MolecularWeight: 876.03776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1CC(=O)OC(CC=CC=CC(=O)C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OCC4=CC=CC=C4)(C)OC)[N+](C)(C)[O-])O)CC=O)C)C

Isomeric SMILES

CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OCC4=CC=CC=C4)(C)OC)[N+](C)(C)[O-])O)CC=O)C)C

InChI

InChI=1S/C46H69NO15/c1-11-36(50)60-35-25-37(51)57-29(3)18-14-12-17-21-34(49)28(2)24-33(22-23-48)42(43(35)54-9)62-45-40(52)39(47(7,8)53)41(30(4)59-45)61-38-26-46(6,55-10)44(31(5)58-38)56-27-32-19-15-13-16-20-32/h12-17,19-21,23,28-31,33,35,38-45,52H,11,18,22,24-27H2,1-10H3/b14-12+,21-17+/t28-,29-,30-,31+,33+,35-,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1