(8-heptanoyloxy-7-methyl-3-oxidanyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylpentanoate

Systemtic Name: (8-heptanoyloxy-7-methyl-3-oxidanyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylpentanoate Openeye Name: (8-heptanoyloxy-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylpentanoate CAS Name: 2,2-diethylpentanoic acid [3-hydroxy-7-methyl-8-(1-oxoheptoxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester IUPAC Name: (8-heptanoyloxy-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) 2,2-diethylpentanoate Traditional Name: 2,2-diethylvaleric acid (8-enanthyloxy-3-hydroxy-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl) ester Formula: C27H44O5 MolecularWeight: 448.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1C(C=CC2=CC(CC(C12)OC(=O)C(CC)(CC)CCC)O)C

Isomeric SMILES

CCCCCCC(=O)OC1C(C=CC2=CC(CC(C12)OC(=O)C(CC)(CC)CCC)O)C

InChI

InChI=1S/C27H44O5/c1-6-10-11-12-13-23(29)32-25-19(5)14-15-20-17-21(28)18-22(24(20)25)31-26(30)27(8-3,9-4)16-7-2/h14-15,17,19,21-22,24-25,28H,6-13,16,18H2,1-5H3