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

Systemtic Name: methyl (1R,4aR,5R,8R,8aR)-5-(3-methanoylbut-3-enyl)-4a-methyl-6-methylidene-8-(phenylcarbonyloxy)-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate Openeye Name: methyl (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-(3-formylbut-3-enyl)-4a-methyl-6-methylene-decalin-1-carboxylate CAS Name: (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-(3-formylbut-3-enyl)-4a-methyl-6-methylene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-(3-formylbut-3-enyl)-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate Traditional Name: (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-(3-formylbut-3-enyl)-4a-methyl-6-methylene-decalin-1-carboxylic acid methyl ester Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1C(CC(=C)C2CCC(=C)C=O)OC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@H]([C@H]1[C@@H](CC(=C)[C@H]2CCC(=C)C=O)OC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H32O5/c1-17(16-27)12-13-21-18(2)15-22(31-24(28)19-9-6-5-7-10-19)23-20(25(29)30-4)11-8-14-26(21,23)3/h5-7,9-10,16,20-23H,1-2,8,11-15H2,3-4H3/t20-,21-,22-,23+,26-/m1/s1