1-[(2R,4R,4aR,10aS)-7-methoxy-2-methyl-1-oxidanylidene-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-4-yl]propyl benzoate

Systemtic Name: 1-[(2R,4R,4aR,10aS)-7-methoxy-2-methyl-1-oxidanylidene-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-4-yl]propyl benzoate Openeye Name: 1-[(2R,4R,4aR,10aS)-7-methoxy-2-methyl-1-oxo-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-4-yl]propyl benzoate CAS Name: benzoic acid 1-[(2R,4R,4aR,10aS)-7-methoxy-2-methyl-1-oxo-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-4-yl]propyl ester IUPAC Name: 1-[(2R,4R,4aR,10aS)-7-methoxy-2-methyl-1-oxo-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-4-yl]propyl benzoate Traditional Name: benzoic acid 1-[(2R,4R,4aR,10aS)-1-keto-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-4-yl]propyl ester Formula: C26H30O4 MolecularWeight: 406.514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CC(C(=O)C2C1C3=C(CC2)C=C(C=C3)OC)C)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCC([C@@H]1C[C@H](C(=O)[C@@H]2[C@@H]1C3=C(CC2)C=C(C=C3)OC)C)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30O4/c1-4-23(30-26(28)17-8-6-5-7-9-17)22-14-16(2)25(27)21-12-10-18-15-19(29-3)11-13-20(18)24(21)22/h5-9,11,13,15-16,21-24H,4,10,12,14H2,1-3H3/t16-,21+,22+,23?,24+/m1/s1