methyl (1R,4aR,5R,8R,8aR)-4a-methyl-6-methylidene-5-(3-oxidanylidenebutyl)-8-(phenylcarbonyloxy)-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate

Systemtic Name: methyl (1R,4aR,5R,8R,8aR)-4a-methyl-6-methylidene-5-(3-oxidanylidenebutyl)-8-(phenylcarbonyloxy)-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate Openeye Name: methyl (1R,4aR,5R,8R,8aR)-8-benzoyloxy-4a-methyl-6-methylene-5-(3-oxobutyl)decalin-1-carboxylate CAS Name: (1R,4aR,5R,8R,8aR)-8-benzoyloxy-4a-methyl-6-methylene-5-(3-oxobutyl)-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR,5R,8R,8aR)-8-benzoyloxy-4a-methyl-6-methylidene-5-(3-oxobutyl)-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate Traditional Name: (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-(3-ketobutyl)-4a-methyl-6-methylene-decalin-1-carboxylic acid methyl ester Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1C(=C)CC(C2C1(CCCC2C(=O)OC)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC[C@@H]1C(=C)C[C@H]([C@H]2[C@@]1(CCC[C@H]2C(=O)OC)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32O5/c1-16-15-21(30-23(27)18-9-6-5-7-10-18)22-19(24(28)29-4)11-8-14-25(22,3)20(16)13-12-17(2)26/h5-7,9-10,19-22H,1,8,11-15H2,2-4H3/t19-,20-,21-,22+,25-/m1/s1