(4S,7R,8S,9S,13Z,16S)-5,5,9,13-tetramethyl-4,8-bis(oxidanyl)-7-prop-2-enyl-16-quinolin-7-yl-1-oxacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13Z,16S)-5,5,9,13-tetramethyl-4,8-bis(oxidanyl)-7-prop-2-enyl-16-quinolin-7-yl-1-oxacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,16S)-7-allyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-(7-quinolyl)-1-oxacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,9,13-tetramethyl-7-prop-2-enyl-16-(7-quinolinyl)-1-oxacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,9,13-tetramethyl-7-prop-2-enyl-16-quinolin-7-yl-1-oxacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13Z,16S)-7-allyl-4,8-dihydroxy-5,5,9,13-tetramethyl-16-(7-quinolyl)-1-oxacyclohexadec-13-ene-2,6-quinone Formula: C31H41NO5 MolecularWeight: 507.66094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)CC=C)(C)C)O)C2=CC3=C(C=CC=N3)C=C2)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)CC=C)(C)C)O)C2=CC3=C(C=CC=N3)C=C2)/C

InChI

InChI=1S/C31H41NO5/c1-6-9-24-29(35)21(3)11-7-10-20(2)13-16-26(23-15-14-22-12-8-17-32-25(22)18-23)37-28(34)19-27(33)31(4,5)30(24)36/h6,8,12-15,17-18,21,24,26-27,29,33,35H,1,7,9-11,16,19H2,2-5H3/b20-13-/t21-,24+,26-,27-,29-/m0/s1