methyl (1R,4aS,10aS)-7-methoxy-4a-(methoxymethoxymethyl)-1-methyl-4,9,10,10a-tetrahydrophenanthrene-1-carboxylate

Systemtic Name: methyl (1R,4aS,10aS)-7-methoxy-4a-(methoxymethoxymethyl)-1-methyl-4,9,10,10a-tetrahydrophenanthrene-1-carboxylate Openeye Name: methyl (1R,4aS,10aS)-7-methoxy-4a-(methoxymethoxymethyl)-1-methyl-4,9,10,10a-tetrahydrophenanthrene-1-carboxylate CAS Name: (1R,4aS,10aS)-7-methoxy-4a-(methoxymethoxymethyl)-1-methyl-4,9,10,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,4aS,10aS)-7-methoxy-4a-(methoxymethoxymethyl)-1-methyl-4,9,10,10a-tetrahydrophenanthrene-1-carboxylate Traditional Name: (1R,4aS,10aS)-7-methoxy-4a-(methoxymethoxymethyl)-1-methyl-4,9,10,10a-tetrahydrophenanthrene-1-carboxylic acid methyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CCC2(C1CCC3=C2C=CC(=C3)OC)COCOC)C(=O)OC

Isomeric SMILES

C[C@]1(C=CC[C@@]2([C@@H]1CCC3=C2C=CC(=C3)OC)COCOC)C(=O)OC

InChI

InChI=1S/C21H28O5/c1-20(19(22)25-4)10-5-11-21(13-26-14-23-2)17-8-7-16(24-3)12-15(17)6-9-18(20)21/h5,7-8,10,12,18H,6,9,11,13-14H2,1-4H3/t18-,20-,21-/m1/s1