2-(4b,8,8-trimethyl-4-oxidanyl-3-oxidanylidene-6,7-dihydro-5H-phenanthren-2-yl)propyl 4-oxidanylbenzoate

Systemtic Name: 2-(4b,8,8-trimethyl-4-oxidanyl-3-oxidanylidene-6,7-dihydro-5H-phenanthren-2-yl)propyl 4-oxidanylbenzoate Openeye Name: 2-(4-hydroxy-4b,8,8-trimethyl-3-oxo-6,7-dihydro-5H-phenanthren-2-yl)propyl 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid 2-(4-hydroxy-4b,8,8-trimethyl-3-oxo-6,7-dihydro-5H-phenanthren-2-yl)propyl ester IUPAC Name: 2-(4-hydroxy-4b,8,8-trimethyl-3-oxo-6,7-dihydro-5H-phenanthren-2-yl)propyl 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid 2-(4-hydroxy-3-keto-4b,8,8-trimethyl-6,7-dihydro-5H-phenanthren-2-yl)propyl ester Formula: C27H30O5 MolecularWeight: 434.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=C(C=C1)O)C2=CC3=CC=C4C(CCCC4(C3=C(C2=O)O)C)(C)C

Isomeric SMILES

CC(COC(=O)C1=CC=C(C=C1)O)C2=CC3=CC=C4C(CCCC4(C3=C(C2=O)O)C)(C)C

InChI

InChI=1S/C27H30O5/c1-16(15-32-25(31)17-6-9-19(28)10-7-17)20-14-18-8-11-21-26(2,3)12-5-13-27(21,4)22(18)24(30)23(20)29/h6-11,14,16,28,30H,5,12-13,15H2,1-4H3