(4S,7R,8S,9S,13Z)-7-but-3-ynyl-5,5,9,13-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,13Z)-7-but-3-ynyl-5,5,9,13-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,13Z)-7-but-3-ynyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z)-7-but-3-ynyl-4,8-dihydroxy-5,5,9,13-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,13Z)-7-but-3-ynyl-4,8-dihydroxy-5,5,9,13-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,13Z)-7-but-3-ynyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C30H43NO5S MolecularWeight: 529.73112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO5S/c1-8-9-13-24-28(34)20(3)12-10-11-19(2)14-15-25(21(4)16-23-18-37-22(5)31-23)36-27(33)17-26(32)30(6,7)29(24)35/h1,14,16,18,20,24-26,28,32,34H,9-13,15,17H2,2-7H3/b19-14-,21-16+/t20-,24+,25?,26-,28-/m0/s1