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

Systemtic Name: [(4aS)-1,1,4a-trimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] 3,4-diacetyloxybenzoate Openeye Name: [(4aS)-5-hydroxy-7-isopropyl-1,1,4a-trimethyl-6-oxo-3,4-dihydro-2H-phenanthren-3-yl] 3,4-diacetoxybenzoate CAS Name: 3,4-diacetyloxybenzoic acid [(4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] ester IUPAC Name: [(4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-3-yl] 3,4-diacetyloxybenzoate Traditional Name: 3,4-diacetoxybenzoic acid [(4aS)-5-hydroxy-7-isopropyl-6-keto-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-3-yl] ester Formula: C31H34O8 MolecularWeight: 534.59686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC=C3C(CC(CC3(C2=C(C1=O)O)C)OC(=O)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)(C)C

Isomeric SMILES

CC(C)C1=CC2=CC=C3[C@@](C2=C(C1=O)O)(CC(CC3(C)C)OC(=O)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C31H34O8/c1-16(2)22-12-19-9-11-25-30(5,6)14-21(15-31(25,7)26(19)28(35)27(22)34)39-29(36)20-8-10-23(37-17(3)32)24(13-20)38-18(4)33/h8-13,16,21,35H,14-15H2,1-7H3/t21?,31-/m0/s1