[(2S,4aS)-1,1,4a-trimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] benzoate

Systemtic Name: [(2S,4aS)-1,1,4a-trimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] benzoate Openeye Name: [(2S,4aS)-5-hydroxy-7-isopropyl-1,1,4a-trimethyl-6-oxo-3,4-dihydro-2H-phenanthren-2-yl] benzoate CAS Name: benzoic acid [(2S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] ester IUPAC Name: [(2S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] benzoate Traditional Name: benzoic acid [(2S,4aS)-5-hydroxy-7-isopropyl-6-keto-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-2-yl] ester Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC=C3C(C(CCC3(C2=C(C1=O)O)C)OC(=O)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)C1=CC2=CC=C3[C@@](C2=C(C1=O)O)(CC[C@@H](C3(C)C)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H30O4/c1-16(2)19-15-18-11-12-20-26(3,4)21(31-25(30)17-9-7-6-8-10-17)13-14-27(20,5)22(18)24(29)23(19)28/h6-12,15-16,21,29H,13-14H2,1-5H3/t21-,27-/m0/s1