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

Systemtic Name: 4a-ethyl-3-methyl-7-(4-oxidanylbutoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-7-(4-hydroxybutoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-7-(4-hydroxybutoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-7-(4-hydroxybutoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-7-(4-hydroxybutoxy)-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)OCCCCO)(C4=CC=CC=C4)O)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4/c1-3-26-19-25(2,29)27(30,21-9-5-4-6-10-21)18-22(26)12-11-20-17-23(13-14-24(20)26)31-16-8-7-15-28/h4-6,9-10,13-14,17,22,28-30H,3,7-8,11-12,15-16,18-19H2,1-2H3