[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ethanoate Openeye Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester IUPAC Name: [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-3-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-8,16-diketo-11-(2-ketoethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-4,6-dien-3-yl]methyl ester Formula: C33H53NO11 MolecularWeight: 639.77402

Click to see the large picture

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)O)N(C)C)O)CC=O)C)C)COC(=O)C

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)O)N(C)C)O)CC=O)C)\C)COC(=O)C

InChI

InChI=1S/C33H53NO11/c1-9-27-24(17-42-22(6)36)14-18(2)10-11-25(37)19(3)15-23(12-13-35)32(20(4)26(38)16-28(39)44-27)45-33-31(41)29(34(7)8)30(40)21(5)43-33/h10-11,13-14,19-21,23-24,26-27,29-33,38,40-41H,9,12,15-17H2,1-8H3/b11-10+,18-14+/t19-,20+,21-,23+,24-,26-,27-,29+,30-,31-,32-,33+/m1/s1