methyl (1S,4aR)-6-methoxy-1,4a-dimethyl-7-phenyl-3,4,7,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylate

Systemtic Name: methyl (1S,4aR)-6-methoxy-1,4a-dimethyl-7-phenyl-3,4,7,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylate Openeye Name: methyl (1S,4aR)-6-methoxy-1,4a-dimethyl-7-phenyl-3,4,7,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylate CAS Name: (1S,4aR)-6-methoxy-1,4a-dimethyl-7-phenyl-3,4,7,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aR)-6-methoxy-1,4a-dimethyl-7-phenyl-3,4,7,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylate Traditional Name: (1S,4aR)-6-methoxy-1,4a-dimethyl-7-phenyl-3,4,7,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylic acid methyl ester Formula: C25H31O3 MolecularWeight: 379.51184

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CC[C]3[C]2[CH][C](C([CH]3)C4=CC=CC=C4)OC)(C)C(=O)OC

Isomeric SMILES

C[C@]12CCC[C@](C1CC[C]3[C]2[CH][C](C([CH]3)C4=CC=CC=C4)OC)(C)C(=O)OC

InChI

InChI=1S/C25H31O3/c1-24-13-8-14-25(2,23(26)28-4)22(24)12-11-18-15-19(17-9-6-5-7-10-17)21(27-3)16-20(18)24/h5-7,9-10,15-16,19,22H,8,11-14H2,1-4H3/t19?,22?,24-,25+/m1/s1