tert-butyl (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-3,15-bis(oxidanyl)-5-oxidanylidene-7-[2,2,2-tris(chloranyl)ethoxycarbonyloxy]heptadeca-12,16-dienoate

Systemtic Name: tert-butyl (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-3,15-bis(oxidanyl)-5-oxidanylidene-7-[2,2,2-tris(chloranyl)ethoxycarbonyloxy]heptadeca-12,16-dienoate Openeye Name: tert-butyl (3S,6R,7S,8S,12Z,15S,16E)-3,15-dihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-5-oxo-7-(2,2,2-trichloroethoxycarbonyloxy)heptadeca-12,16-dienoate CAS Name: (3S,6R,7S,8S,12Z,15S,16E)-3,15-dihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-4-thiazolyl)-5-oxo-7-[oxo(2,2,2-trichloroethoxy)methoxy]heptadeca-12,16-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (3S,6R,7S,8S,12Z,15S,16E)-3,15-dihydroxy-4,4,6,8,12,16-hexamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-7-(2,2,2-trichloroethoxycarbonyloxy)heptadeca-12,16-dienoate Traditional Name: (3S,6R,7S,8S,12Z,15S,16E)-3,15-dihydroxy-5-keto-4,4,6,8,12,16-hexamethyl-17-(2-methylthiazol-4-yl)-7-(2,2,2-trichloroethoxycarbonyloxy)heptadeca-12,16-dienoic acid tert-butyl ester Formula: C34H52Cl3NO8S MolecularWeight: 741.20258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=C(C)C(CC=C(C)CCCC(C)C(C(C)C(=O)C(C)(C)C(CC(=O)OC(C)(C)C)O)OC(=O)OCC(Cl)(Cl)Cl)O

Isomeric SMILES

CC1=NC(=CS1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)[C@@H]([C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)OC(C)(C)C)O)OC(=O)OCC(Cl)(Cl)Cl)O

InChI

InChI=1S/C34H52Cl3NO8S/c1-20(14-15-26(39)22(3)16-25-18-47-24(5)38-25)12-11-13-21(2)29(45-31(43)44-19-34(35,36)37)23(4)30(42)33(9,10)27(40)17-28(41)46-32(6,7)8/h14,16,18,21,23,26-27,29,39-40H,11-13,15,17,19H2,1-10H3/b20-14-,22-16+/t21-,23+,26-,27-,29-/m0/s1