methyl (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-6,8-dimethoxy-19-[(E)-1-[(1R,3R,4R)-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-4,10,12,18-tetramethyl-3,7,17-tris(oxidanyl)-2,15,21-tris(oxidanylidene)-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylate

Systemtic Name: methyl (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-6,8-dimethoxy-19-[(E)-1-[(1R,3R,4R)-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-4,10,12,18-tetramethyl-3,7,17-tris(oxidanyl)-2,15,21-tris(oxidanylidene)-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylate Openeye Name: methyl (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-14-allyl-3,7,17-trihydroxy-19-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl]-1-methyl-vinyl]-6,8-dimethoxy-4,10,12,18-tetramethyl-2,15,21-trioxo-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylate CAS Name: (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-3,7,17-trihydroxy-19-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-6,8-dimethoxy-4,10,12,18-tetramethyl-2,15,21-trioxo-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-3,7,17-trihydroxy-19-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-6,8-dimethoxy-4,10,12,18-tetramethyl-2,15,21-trioxo-14-prop-2-enyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylate Traditional Name: (4R,6S,7R,8S,10S,12E,14R,17S,18R,19S,22S)-14-allyl-3,7,17-trihydroxy-19-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxy-cyclohexyl]-1-methyl-vinyl]-2,15,21-triketo-6,8-dimethoxy-4,10,12,18-tetramethyl-20-oxa-1-azabicyclo[20.4.0]hexacos-12-ene-3-carboxylic acid methyl ester Formula: C45H73NO13 MolecularWeight: 836.06002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(CC(C(C(=O)N2CCCCC2C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC3CCC(C(C3)OC)O)C)(C(=O)OC)O)C)OC)O)OC

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)(C(=O)OC)O)C)OC)O)OC

InChI

InChI=1S/C45H73NO13/c1-11-14-32-20-26(2)19-27(3)21-38(56-8)40(50)39(57-9)23-29(5)45(54,44(53)58-10)43(52)46-18-13-12-15-33(46)42(51)59-41(30(6)35(48)25-36(32)49)28(4)22-31-16-17-34(47)37(24-31)55-7/h11,20,22,27,29-35,37-41,47-48,50,54H,1,12-19,21,23-25H2,2-10H3/b26-20+,28-22+/t27-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/m0/s1