4a-ethyl-3-methyl-7-(2-methyl-2-oxidanyl-propoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3-methyl-7-(2-methyl-2-oxidanyl-propoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-7-(2-hydroxy-2-methyl-propoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-7-(2-hydroxy-2-methylpropoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-7-(2-hydroxy-2-methylpropoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-7-(2-hydroxy-2-methyl-propoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C27H36O4 MolecularWeight: 424.57234

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC(C)(C)O)(C4=CC=CC=C4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC(C)(C)O)(C4=CC=CC=C4)O)(C)O

InChI

InChI=1S/C27H36O4/c1-5-26-17-25(4,29)27(30,20-9-7-6-8-10-20)16-21(26)12-11-19-15-22(13-14-23(19)26)31-18-24(2,3)28/h6-10,13-15,21,28-30H,5,11-12,16-18H2,1-4H3