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

Systemtic Name: [(2S,4aS)-1,1,4a-trimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(2S,4aS)-5-hydroxy-7-isopropyl-1,1,4a-trimethyl-6-oxo-3,4-dihydro-2H-phenanthren-2-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic 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] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(2S,4aS)-5-hydroxy-7-isopropyl-6-keto-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-2-yl] ester Formula: C29H32O4 MolecularWeight: 444.56198

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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)C=CC4=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)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C29H32O4/c1-18(2)21-17-20-12-13-22-28(3,4)23(15-16-29(22,5)25(20)27(32)26(21)31)33-24(30)14-11-19-9-7-6-8-10-19/h6-14,17-18,23,32H,15-16H2,1-5H3/b14-11+/t23-,29-/m0/s1