(4R,6S,7E,12S)-4-methoxy-12-methyl-6-phenylmethoxy-1-oxacyclododec-7-ene-2,5-dione

Systemtic Name: (4R,6S,7E,12S)-4-methoxy-12-methyl-6-phenylmethoxy-1-oxacyclododec-7-ene-2,5-dione Openeye Name: (4R,6S,7E,12S)-6-benzyloxy-4-methoxy-12-methyl-1-oxacyclododec-7-ene-2,5-dione CAS Name: (4R,6S,7E,12S)-4-methoxy-12-methyl-6-phenylmethoxy-1-oxacyclododec-7-ene-2,5-dione IUPAC Name: (4R,6S,7E,12S)-4-methoxy-12-methyl-6-phenylmethoxy-1-oxacyclododec-7-ene-2,5-dione Traditional Name: (4R,6S,7E,12S)-6-benzoxy-4-methoxy-12-methyl-1-oxacyclododec-7-ene-2,5-quinone Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC=CC(C(=O)C(CC(=O)O1)OC)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC/C=C/[C@@H](C(=O)[C@@H](CC(=O)O1)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26O5/c1-15-9-5-3-8-12-17(24-14-16-10-6-4-7-11-16)20(22)18(23-2)13-19(21)25-15/h4,6-8,10-12,15,17-18H,3,5,9,13-14H2,1-2H3/b12-8+/t15-,17-,18+/m0/s1