1-[7-oxidanyl-4b-(phenylmethyl)-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthren-2-yl]propan-1-one

Systemtic Name: 1-[7-oxidanyl-4b-(phenylmethyl)-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthren-2-yl]propan-1-one Openeye Name: 1-(4b-benzyl-7-hydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthren-2-yl)propan-1-one CAS Name: 1-[7-hydroxy-4b-(phenylmethyl)-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthren-2-yl]-1-propanone IUPAC Name: 1-(4b-benzyl-7-hydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthren-2-yl)propan-1-one Traditional Name: 1-(4b-benzyl-7-hydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthren-2-yl)propan-1-one Formula: C27H30O2 MolecularWeight: 386.5259

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)C3(CCC(CC3CC2)(C#CC)O)CC4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)C3(CCC(CC3CC2)(C#CC)O)CC4=CC=CC=C4

InChI

InChI=1S/C27H30O2/c1-3-14-26(29)15-16-27(18-20-8-6-5-7-9-20)23(19-26)12-10-21-17-22(25(28)4-2)11-13-24(21)27/h5-9,11,13,17,23,29H,4,10,12,15-16,18-19H2,1-2H3