8-bromanyl-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol

Systemtic Name: 8-bromanyl-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Openeye Name: 8-bromo-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol CAS Name: 8-bromo-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol IUPAC Name: 8-bromo-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Traditional Name: 8-bromo-4a-ethyl-3-methyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol Formula: C23H27BrO3 MolecularWeight: 431.36268

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3Br)O)(C4=CC=CC=C4)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3Br)O)(C4=CC=CC=C4)O)(C)O

InChI

InChI=1S/C23H27BrO3/c1-3-22-14-21(2,26)23(27,15-7-5-4-6-8-15)13-16(22)9-10-17-18(22)11-12-19(25)20(17)24/h4-8,11-12,16,25-27H,3,9-10,13-14H2,1-2H3