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

Systemtic Name: 4a-ethyl-3-methyl-7-(3-oxidanylpropoxy)-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-7-(3-hydroxypropoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-7-(3-hydroxypropoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-7-(3-hydroxypropoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-7-(3-hydroxypropoxy)-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O4/c1-3-25-18-24(2,28)26(29,20-8-5-4-6-9-20)17-21(25)11-10-19-16-22(12-13-23(19)25)30-15-7-14-27/h4-6,8-9,12-13,16,21,27-29H,3,7,10-11,14-15,17-18H2,1-2H3