methyl (2E,6S,9E,13S)-6,10-dimethyl-4-oxidanyl-14-oxidanylidene-15-(phenylsulfinyl)-13-propan-2-yl-pentadeca-2,9-dienoate

Systemtic Name: methyl (2E,6S,9E,13S)-6,10-dimethyl-4-oxidanyl-14-oxidanylidene-15-(phenylsulfinyl)-13-propan-2-yl-pentadeca-2,9-dienoate Openeye Name: methyl (2E,6S,9E,13S)-15-(benzenesulfinyl)-4-hydroxy-13-isopropyl-6,10-dimethyl-14-oxo-pentadeca-2,9-dienoate CAS Name: (2E,6S,9E,13S)-15-(benzenesulfinyl)-4-hydroxy-6,10-dimethyl-14-oxo-13-propan-2-ylpentadeca-2,9-dienoic acid methyl ester IUPAC Name: methyl (2E,6S,9E,13S)-15-(benzenesulfinyl)-4-hydroxy-6,10-dimethyl-14-oxo-13-propan-2-ylpentadeca-2,9-dienoate Traditional Name: (2E,6S,9E,13S)-15-(benzenesulfinyl)-4-hydroxy-13-isopropyl-14-keto-6,10-dimethyl-pentadeca-2,9-dienoic acid methyl ester Formula: C27H40O5S MolecularWeight: 476.6685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=CCCC(C)CC(C=CC(=O)OC)O)C)C(=O)CS(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC/C=C(\C)/CC[C@@H](C(C)C)C(=O)CS(=O)C1=CC=CC=C1)CC(/C=C/C(=O)OC)O

InChI

InChI=1S/C27H40O5S/c1-20(2)25(26(29)19-33(31)24-12-7-6-8-13-24)16-14-21(3)10-9-11-22(4)18-23(28)15-17-27(30)32-5/h6-8,10,12-13,15,17,20,22-23,25,28H,9,11,14,16,18-19H2,1-5H3/b17-15+,21-10+/t22-,23?,25-,33?/m0/s1