methyl 7-acetyloxy-1-methanoyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate

Systemtic Name: methyl 7-acetyloxy-1-methanoyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate Openeye Name: methyl 7-acetoxy-1-formyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate CAS Name: 7-acetyloxy-1-formyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-acetyloxy-1-formyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylate Traditional Name: 7-acetoxy-1-formyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2-carboxylic acid methyl ester Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC(C(C3CC2)C=O)C(=O)OC

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3CCC(C(C3CC2)C=O)C(=O)OC

InChI

InChI=1S/C19H22O5/c1-11(21)24-13-4-6-14-12(9-13)3-5-16-15(14)7-8-17(18(16)10-20)19(22)23-2/h4,6,9-10,15-18H,3,5,7-8H2,1-2H3