methyl (4aS,6R,6aR,7S,11aS,11bR)-4,4,11b-trimethyl-6-oxidanyl-5-oxidanylidene-2,3,4a,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate

Systemtic Name: methyl (4aS,6R,6aR,7S,11aS,11bR)-4,4,11b-trimethyl-6-oxidanyl-5-oxidanylidene-2,3,4a,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate Openeye Name: methyl (4aS,6R,6aR,7S,11aS,11bR)-6-hydroxy-4,4,11b-trimethyl-5-oxo-2,3,4a,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-7-carboxylate CAS Name: (4aS,6R,6aR,7S,11aS,11bR)-6-hydroxy-4,4,11b-trimethyl-5-oxo-2,3,4a,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl (4aS,6R,6aR,7S,11aS,11bR)-6-hydroxy-4,4,11b-trimethyl-5-oxo-2,3,4a,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate Traditional Name: (4aS,6R,6aR,7S,11aS,11bR)-6-hydroxy-5-keto-4,4,11b-trimethyl-2,3,4a,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-7-carboxylic acid methyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1C(=O)C(C3C2CC4=C(C3C(=O)OC)C=CO4)O)C)C

Isomeric SMILES

C[C@]12CCCC([C@@H]1C(=O)[C@@H]([C@@H]3[C@@H]2CC4=C([C@H]3C(=O)OC)C=CO4)O)(C)C

InChI

InChI=1S/C21H28O5/c1-20(2)7-5-8-21(3)12-10-13-11(6-9-26-13)14(19(24)25-4)15(12)16(22)17(23)18(20)21/h6,9,12,14-16,18,22H,5,7-8,10H2,1-4H3/t12-,14+,15+,16+,18-,21+/m0/s1