[(2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16S)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-7-(1,3-dioxolan-2-ylmethyl)-16-ethyl-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-6-methyl-5-prop-2-enoxy-oxan-3-yl] ethanoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16S)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-7-(1,3-dioxolan-2-ylmethyl)-16-ethyl-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-6-methyl-5-prop-2-enoxy-oxan-3-yl] ethanoate Openeye Name: [(2R,3R,4S,5S,6R)-5-allyloxy-4-(dimethylamino)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16S)-7-(1,3-dioxolan-2-ylmethyl)-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3R,4S,5S,6R)-4-(dimethylamino)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16S)-7-(1,3-dioxolan-2-ylmethyl)-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-6-methyl-5-prop-2-enoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-4-(dimethylamino)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16S)-7-(1,3-dioxolan-2-ylmethyl)-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-6-methyl-5-prop-2-enoxyoxan-3-yl] acetate Traditional Name: acetic acid [(2R,3R,4S,5S,6R)-5-allyloxy-4-(dimethylamino)-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16S)-7-(1,3-dioxolan-2-ylmethyl)-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-2,10-diketo-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C46H75NO16 MolecularWeight: 898.0848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OCC=C)N(C)C)OC(=O)C)CC3OCCO3)C)C)COC4C(C(C(C(O4)C)O)OC)OC

Isomeric SMILES

CC[C@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OCC=C)N(C)C)OC(=O)C)CC3OCCO3)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC

InChI

InChI=1S/C46H75NO16/c1-13-17-57-41-29(7)60-46(42(61-30(8)48)38(41)47(9)10)63-40-27(5)34(50)23-36(51)62-35(14-2)32(24-58-45-44(54-12)43(53-11)39(52)28(6)59-45)20-25(3)15-16-33(49)26(4)21-31(40)22-37-55-18-19-56-37/h13,15-16,20,26-29,31-32,34-35,37-46,50,52H,1,14,17-19,21-24H2,2-12H3/b16-15+,25-20+/t26-,27+,28-,29-,31-,32-,34-,35+,38+,39-,40-,41-,42-,43-,44-,45-,46+/m1/s1