propyl (8R,9S,13S,14S,16R,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylate

Systemtic Name: propyl (8R,9S,13S,14S,16R,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylate Openeye Name: propyl (8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylate CAS Name: (8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylic acid propyl ester IUPAC Name: propyl (8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylate Traditional Name: (8R,9S,13S,14S,16R,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxylic acid propyl ester Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CC2C3CCC4=C(C3CCC2(C1O)C)C=CC(=C4)O

Isomeric SMILES

CCCOC(=O)[C@@H]1C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)O

InChI

InChI=1S/C22H30O4/c1-3-10-26-21(25)18-12-19-17-6-4-13-11-14(23)5-7-15(13)16(17)8-9-22(19,2)20(18)24/h5,7,11,16-20,23-24H,3-4,6,8-10,12H2,1-2H3/t16-,17-,18-,19+,20+,22+/m1/s1