10a-methyl-1-(3-methylbutyl)-7-phenylmethoxy-1,2,4,4a,9,10-hexahydrophenanthren-3-one

Systemtic Name: 10a-methyl-1-(3-methylbutyl)-7-phenylmethoxy-1,2,4,4a,9,10-hexahydrophenanthren-3-one Openeye Name: 7-benzyloxy-1-isopentyl-10a-methyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one CAS Name: 10a-methyl-1-(3-methylbutyl)-7-phenylmethoxy-1,2,4,4a,9,10-hexahydrophenanthren-3-one IUPAC Name: 10a-methyl-1-(3-methylbutyl)-7-phenylmethoxy-1,2,4,4a,9,10-hexahydrophenanthren-3-one Traditional Name: 7-benzoxy-1-isoamyl-10a-methyl-1,2,4,4a,9,10-hexahydrophenanthren-3-one Formula: C27H34O2 MolecularWeight: 390.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CC(=O)CC2C1(CCC3=C2C=CC(=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC(C)CCC1CC(=O)CC2C1(CCC3=C2C=CC(=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H34O2/c1-19(2)9-10-22-16-23(28)17-26-25-12-11-24(15-21(25)13-14-27(22,26)3)29-18-20-7-5-4-6-8-20/h4-8,11-12,15,19,22,26H,9-10,13-14,16-18H2,1-3H3