ethyl (1S,4aS,10aR)-1-chloranyl-8-methoxy-4a-methyl-2-oxidanylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylate

Systemtic Name: ethyl (1S,4aS,10aR)-1-chloranyl-8-methoxy-4a-methyl-2-oxidanylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylate Openeye Name: ethyl (1S,4aS,10aR)-1-chloro-7-isopropyl-8-methoxy-4a-methyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylate CAS Name: (1S,4aS,10aR)-1-chloro-8-methoxy-4a-methyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4aS,10aR)-1-chloro-8-methoxy-4a-methyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylate Traditional Name: (1S,4aS,10aR)-1-chloro-7-isopropyl-2-keto-8-methoxy-4a-methyl-4,9,10,10a-tetrahydro-3H-phenanthrene-1-carboxylic acid ethyl ester Formula: C22H29ClO4 MolecularWeight: 392.91626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CCC3=C(C2(CCC1=O)C)C=CC(=C3OC)C(C)C)Cl

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]2CCC3=C([C@]2(CCC1=O)C)C=CC(=C3OC)C(C)C)Cl

InChI

InChI=1S/C22H29ClO4/c1-6-27-20(25)22(23)17-10-8-15-16(21(17,4)12-11-18(22)24)9-7-14(13(2)3)19(15)26-5/h7,9,13,17H,6,8,10-12H2,1-5H3/t17-,21-,22+/m1/s1