2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]ethenylphosphonic acid

Systemtic Name: 2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]ethenylphosphonic acid Openeye Name: 2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]vinylphosphonic acid CAS Name: 2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]ethenylphosphonic acid IUPAC Name: 2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]ethenylphosphonic acid Traditional Name: 2-[(8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]vinylphosphonic acid Formula: C21H27O4P MolecularWeight: 374.410441

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=C=CP(=O)(O)O)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=C=CP(=O)(O)O)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H27O4P/c1-21-11-9-18-17-7-5-16(25-2)13-14(17)3-6-19(18)20(21)8-4-15(21)10-12-26(22,23)24/h5,7,12-13,18-20H,3-4,6,8-9,11H2,1-2H3,(H2,22,23,24)/t10?,18-,19-,20+,21-/m1/s1