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

Systemtic Name: 2-[(3S,4S,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-3,5,9,13-tetramethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal Openeye Name: 2-[(3S,4S,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-3,5,9,13-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde CAS Name: 2-[(3S,4S,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-3,5,9,13-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde IUPAC Name: 2-[(3S,4S,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-3,5,9,13-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Traditional Name: 2-[(3S,4S,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-2,10-diketo-3,5,9,13-tetramethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Formula: C40H67NO14 MolecularWeight: 785.95828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CC=O)C)C)COC3C(C(C(C(O3)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]([C@@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC

InChI

InChI=1S/C40H67NO14/c1-12-29-27(19-51-40-37(50-11)36(49-10)33(46)25(7)53-40)17-20(2)13-14-28(43)21(3)18-26(15-16-42)35(22(4)31(44)23(5)38(48)54-29)55-39-34(47)30(41(8)9)32(45)24(6)52-39/h13-14,16-17,21-27,29-37,39-40,44-47H,12,15,18-19H2,1-11H3/b14-13+,20-17+/t21-,22+,23+,24-,25-,26+,27-,29-,30+,31+,32-,33-,34-,35-,36-,37-,39+,40-/m1/s1