[3-acetyloxy-2-[(1R,2R,5S)-5-methyl-5-oxidanyl-2-prop-1-en-2-yl-cyclohexyl]-5-pentyl-phenyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[(1R,2R,5S)-5-methyl-5-oxidanyl-2-prop-1-en-2-yl-cyclohexyl]-5-pentyl-phenyl] ethanoate Openeye Name: [3-acetoxy-2-[(1R,2R,5S)-5-hydroxy-2-isopropenyl-5-methyl-cyclohexyl]-5-pentyl-phenyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[(1R,2R,5S)-5-hydroxy-5-methyl-2-(1-methylethenyl)cyclohexyl]-5-pentylphenyl] ester IUPAC Name: [3-acetyloxy-2-[(1R,2R,5S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylcyclohexyl]-5-pentylphenyl] acetate Traditional Name: acetic acid [3-acetoxy-5-amyl-2-[(1R,2R,5S)-5-hydroxy-2-isopropenyl-5-methyl-cyclohexyl]phenyl] ester Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C(=C1)OC(=O)C)C2CC(CCC2C(=C)C)(C)O)OC(=O)C

Isomeric SMILES

CCCCCC1=CC(=C(C(=C1)OC(=O)C)[C@@H]2C[C@@](CC[C@H]2C(=C)C)(C)O)OC(=O)C

InChI

InChI=1S/C25H36O5/c1-7-8-9-10-19-13-22(29-17(4)26)24(23(14-19)30-18(5)27)21-15-25(6,28)12-11-20(21)16(2)3/h13-14,20-21,28H,2,7-12,15H2,1,3-6H3/t20-,21+,25-/m0/s1