4a-ethyl-3-methyl-7-(5-methyl-5-oxidanyl-hexoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3-methyl-7-(5-methyl-5-oxidanyl-hexoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-7-(5-hydroxy-5-methyl-hexoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-7-(5-hydroxy-5-methylhexoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-7-(5-hydroxy-5-methylhexoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-7-(5-hydroxy-5-methyl-hexoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C30H42O4 MolecularWeight: 466.65208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O4/c1-5-29-21-28(4,32)30(33,23-11-7-6-8-12-23)20-24(29)14-13-22-19-25(15-16-26(22)29)34-18-10-9-17-27(2,3)31/h6-8,11-12,15-16,19,24,31-33H,5,9-10,13-14,17-18,20-21H2,1-4H3