(4S,7R,8S,9S,13Z,16S)-5,5,7,9,13-pentamethyl-16-(2-methyl-1,3-thiazol-4-yl)-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13Z,16S)-5,5,7,9,13-pentamethyl-16-(2-methyl-1,3-thiazol-4-yl)-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-(2-methylthiazol-4-yl)-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-(2-methyl-4-thiazolyl)-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-(2-methyl-1,3-thiazol-4-yl)-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-(2-methylthiazol-4-yl)-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C24H37NO5S MolecularWeight: 451.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C2=CSC(=N2)C)C

Isomeric SMILES

C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C2=CSC(=N2)C)/C

InChI

InChI=1S/C24H37NO5S/c1-14-8-7-9-15(2)22(28)16(3)23(29)24(5,6)20(26)12-21(27)30-19(11-10-14)18-13-31-17(4)25-18/h10,13,15-16,19-20,22,26,28H,7-9,11-12H2,1-6H3/b14-10-/t15-,16+,19-,20-,22-/m0/s1