ethyl (1S,3R,3aS,4R,7aS)-7-methyl-7a-oxidanyl-4-propan-2-yl-3-prop-1-en-2-yl-3,3a,4,5-tetrahydro-1H-2-benzofuran-1-carboxylate

Systemtic Name: ethyl (1S,3R,3aS,4R,7aS)-7-methyl-7a-oxidanyl-4-propan-2-yl-3-prop-1-en-2-yl-3,3a,4,5-tetrahydro-1H-2-benzofuran-1-carboxylate Openeye Name: ethyl (1S,3R,3aS,4R,7aS)-7a-hydroxy-3-isopropenyl-4-isopropyl-7-methyl-3,3a,4,5-tetrahydro-1H-isobenzofuran-1-carboxylate CAS Name: (1S,3R,3aS,4R,7aS)-7a-hydroxy-7-methyl-3-(1-methylethenyl)-4-propan-2-yl-3,3a,4,5-tetrahydro-1H-isobenzofuran-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3R,3aS,4R,7aS)-7a-hydroxy-7-methyl-4-propan-2-yl-3-prop-1-en-2-yl-3,3a,4,5-tetrahydro-1H-2-benzofuran-1-carboxylate Traditional Name: (1S,3R,3aS,4R,7aS)-7a-hydroxy-3-isopropenyl-4-isopropyl-7-methyl-3,3a,4,5-tetrahydro-1H-isobenzofuran-1-carboxylic acid ethyl ester Formula: C18H28O4 MolecularWeight: 308.41252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2(C(C(CC=C2C)C(C)C)C(O1)C(=C)C)O

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@]2([C@@H]([C@H](CC=C2C)C(C)C)[C@@H](O1)C(=C)C)O

InChI

InChI=1S/C18H28O4/c1-7-21-17(19)16-18(20)12(6)8-9-13(10(2)3)14(18)15(22-16)11(4)5/h8,10,13-16,20H,4,7,9H2,1-3,5-6H3/t13-,14+,15+,16-,18-/m1/s1