(4S,7R,8S,9S,15Z,18S)-5,5,7,9-tetramethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclooctadec-15-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,15Z,18S)-5,5,7,9-tetramethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclooctadec-15-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,5,7,9-tetramethyl-18-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclooctadec-15-ene-2,6-dione CAS Name: (4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,5,7,9-tetramethyl-18-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,5,7,9-tetramethyl-18-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclooctadec-15-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,15Z,18S)-4,8-dihydroxy-5,5,7,9-tetramethyl-18-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclooctadec-15-ene-2,6-quinone Formula: C28H43NO5S MolecularWeight: 505.70972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCC=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C

Isomeric SMILES

C[C@H]1CCCCC/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

InChI

InChI=1S/C28H43NO5S/c1-18-13-11-9-7-8-10-12-14-23(19(2)15-22-17-35-21(4)29-22)34-25(31)16-24(30)28(5,6)27(33)20(3)26(18)32/h10,12,15,17-18,20,23-24,26,30,32H,7-9,11,13-14,16H2,1-6H3/b12-10-,19-15+/t18-,20+,23-,24-,26-/m0/s1