ethyl (4aR,10aS)-1,1-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate

Systemtic Name: ethyl (4aR,10aS)-1,1-dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Openeye Name: ethyl (4aR,10aS)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate CAS Name: (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid ethyl ester IUPAC Name: ethyl (4aR,10aS)-6-hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate Traditional Name: (4aR,10aS)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid ethyl ester Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12CCCC(C1CCC3=CC(=C(C=C23)O)C(C)C)(C)C

Isomeric SMILES

CCOC(=O)[C@]12CCCC([C@@H]1CCC3=CC(=C(C=C23)O)C(C)C)(C)C

InChI

InChI=1S/C22H32O3/c1-6-25-20(24)22-11-7-10-21(4,5)19(22)9-8-15-12-16(14(2)3)18(23)13-17(15)22/h12-14,19,23H,6-11H2,1-5H3/t19-,22-/m0/s1