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

Systemtic Name: 4a-ethyl-3-methyl-7-(4-methyl-4-oxidanyl-pentoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-7-(4-hydroxy-4-methyl-pentoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-7-(4-hydroxy-4-methylpentoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-7-(4-hydroxy-4-methylpentoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-7-(4-hydroxy-4-methyl-pentoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4/c1-5-28-20-27(4,31)29(32,22-10-7-6-8-11-22)19-23(28)13-12-21-18-24(14-15-25(21)28)33-17-9-16-26(2,3)30/h6-8,10-11,14-15,18,23,30-32H,5,9,12-13,16-17,19-20H2,1-4H3