(4S,7R,8S,9S,13E,16S)-13-(chloromethyl)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13E,16S)-13-(chloromethyl)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13E,16S)-13-(chloromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13E,16S)-13-(chloromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13E,16S)-13-(chloromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13E,16S)-13-(chloromethyl)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C27H40ClNO5S MolecularWeight: 526.1282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)CCl

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)/C(=C/C2=CSC(=N2)C)/C)/CCl

InChI

InChI=1S/C27H40ClNO5S/c1-16-8-7-9-20(14-28)10-11-22(17(2)12-21-15-35-19(4)29-21)34-24(31)13-23(30)27(5,6)26(33)18(3)25(16)32/h10,12,15-16,18,22-23,25,30,32H,7-9,11,13-14H2,1-6H3/b17-12+,20-10+/t16-,18+,22-,23-,25-/m0/s1