methyl 1-ethynyl-7-methoxy-2-methyl-1-oxidanyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylate

Systemtic Name: methyl 1-ethynyl-7-methoxy-2-methyl-1-oxidanyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylate Openeye Name: methyl 1-ethynyl-1-hydroxy-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylate CAS Name: 1-ethynyl-1-hydroxy-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid methyl ester IUPAC Name: methyl 1-ethynyl-1-hydroxy-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylate Traditional Name: 1-ethynyl-1-hydroxy-7-methoxy-2-methyl-3,4,4a,9,10,10a-hexahydrophenanthrene-2-carboxylic acid methyl ester Formula: C20H24O4 MolecularWeight: 328.40216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1(C#C)O)CCC3=C2C=CC(=C3)OC)C(=O)OC

Isomeric SMILES

CC1(CCC2C(C1(C#C)O)CCC3=C2C=CC(=C3)OC)C(=O)OC

InChI

InChI=1S/C20H24O4/c1-5-20(22)17-9-6-13-12-14(23-3)7-8-15(13)16(17)10-11-19(20,2)18(21)24-4/h1,7-8,12,16-17,22H,6,9-11H2,2-4H3