[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-4-[(E)-3-phenylprop-2-enoxy]-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] propanoate

Systemtic Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-5-methoxy-9,16-dimethyl-10-oxidanyl-2-oxidanylidene-7-(2-oxidanylideneethyl)-4-[(E)-3-phenylprop-2-enoxy]-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-5-oxidanyl-oxan-3-yl]oxy-2,4-dimethyl-4-oxidanyl-oxan-3-yl] propanoate Openeye Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-[(E)-cinnamyl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] propanoate CAS Name: propanoic acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-[(E)-3-phenylprop-2-enoxy]-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyl-3-oxanyl]oxy]-4-hydroxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-[(E)-3-phenylprop-2-enoxy]-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate Traditional Name: propionic acid [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4-[(E)-cinnamyl]oxy-10-hydroxy-2-keto-7-(2-ketoethyl)-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C47H71NO14 MolecularWeight: 874.06494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)OCC=CC4=CC=CC=C4)C)O)C)CC=O)C)C

Isomeric SMILES

CCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC/C=C/C4=CC=CC=C4)C)O)C)CC=O)C)C

InChI

InChI=1S/C47H71NO14/c1-10-37(51)60-45-32(5)58-39(28-47(45,6)54)61-42-31(4)59-46(41(53)40(42)48(7)8)62-43-34(23-24-49)26-29(2)35(50)22-16-11-13-18-30(3)57-38(52)27-36(44(43)55-9)56-25-17-21-33-19-14-12-15-20-33/h11-17,19-22,24,29-32,34-36,39-46,50,53-54H,10,18,23,25-28H2,1-9H3/b13-11+,21-17+,22-16+/t29-,30-,31-,32+,34+,35+,36-,39+,40-,41-,42-,43+,44+,45+,46+,47-/m1/s1