(4aS,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate

Systemtic Name: (4aS,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate Openeye Name: (4aS,5S,6R,8aR)-5-[2-(3-furyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate CAS Name: (4aS,5S,6R,8aR)-5-[2-(3-furanyl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate IUPAC Name: (4aS,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate Traditional Name: (4aS,5S,6R,8aR)-5-[2-(3-furyl)ethyl]-5,6-dimethyl-8a-methylol-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate Formula: C20H27O4- MolecularWeight: 331.42598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(C(C1(C)CCC3=COC=C3)CCC=C2C(=O)[O-])CO

Isomeric SMILES

C[C@@H]1CC[C@]2([C@H]([C@@]1(C)CCC3=COC=C3)CCC=C2C(=O)[O-])CO

InChI

InChI=1S/C20H28O4/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h4,8,11-12,14,17,21H,3,5-7,9-10,13H2,1-2H3,(H,22,23)/p-1/t14-,17+,19+,20+/m1/s1