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

Systemtic Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(3-methylbutoxy)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-4,10-bis(oxidanyl)-2-oxidanylidene-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal Openeye Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-5-isopentyloxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde CAS Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(3-methylbutoxy)-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde IUPAC Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-(3-methylbutoxy)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Traditional Name: 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-5-isoamoxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-4,10-dihydroxy-2-keto-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Formula: C41H71NO13 MolecularWeight: 786.00134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OCCC(C)C)(C)OC)N(C)C)O)CC=O)C)O

Isomeric SMILES

C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)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)OCCC(C)C)(C)OC)N(C)C)O)CC=O)C)O

InChI

InChI=1S/C41H71NO13/c1-24(2)18-20-50-39-28(6)52-33(23-41(39,7)49-11)54-36-27(5)53-40(35(47)34(36)42(8)9)55-37-29(17-19-43)21-25(3)30(44)16-14-12-13-15-26(4)51-32(46)22-31(45)38(37)48-10/h12-14,16,19,24-31,33-40,44-45,47H,15,17-18,20-23H2,1-11H3/b13-12+,16-14+/t25-,26-,27-,28+,29+,30+,31-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1