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

Systemtic Name: 2-[(2E,5R,6S,7R,9R,15R,16R)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,9,13-trimethyl-2-oxidanyl-4,10-bis(oxidanylidene)-1-oxacyclohexadec-2-en-7-yl]ethanal Openeye Name: 2-[(2E,5R,6S,7R,9R,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-2-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,9,13-trimethyl-4,10-dioxo-1-oxacyclohexadec-2-en-7-yl]acetaldehyde CAS Name: 2-[(2E,5R,6S,7R,9R,15R,16R)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-2-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,9,13-trimethyl-4,10-dioxo-1-oxacyclohexadec-2-en-7-yl]acetaldehyde IUPAC Name: 2-[(2E,5R,6S,7R,9R,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-2-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,9,13-trimethyl-4,10-dioxo-1-oxacyclohexadec-2-en-7-yl]acetaldehyde Traditional Name: 2-[(2E,5R,6S,7R,9R,15R,16R)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-2-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-4,10-diketo-5,9,13-trimethyl-1-oxacyclohexadec-2-en-7-yl]acetaldehyde Formula: C39H67NO14 MolecularWeight: 773.94758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC(CCC(=O)C(CC(C(C(C(=O)C=C(O1)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](CC(CCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)/C=C(/O1)\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

InChI

InChI=1S/C39H67NO14/c1-11-29-26(19-50-39-37(49-10)36(48-9)33(46)24(6)52-39)16-20(2)12-13-27(42)21(3)17-25(14-15-41)35(22(4)28(43)18-30(44)53-29)54-38-34(47)31(40(7)8)32(45)23(5)51-38/h15,18,20-26,29,31-39,44-47H,11-14,16-17,19H2,1-10H3/b30-18+/t20?,21-,22+,23?,24?,25+,26-,29-,31?,32?,33?,34?,35-,36?,37?,38?,39?/m1/s1