3'-isocyanato-3',10,13-trimethyl-spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-one

Systemtic Name: 3'-isocyanato-3',10,13-trimethyl-spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-one Openeye Name: 3'-isocyanato-3',10,13-trimethyl-spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-one CAS Name: 3'-isocyanato-3',10,13-trimethyl-3-spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]one IUPAC Name: 3'-isocyanato-3',10,13-trimethylspiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-one Traditional Name: 3'-isocyanato-3',10,13-trimethyl-spiro[2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-one Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC45C(O5)(C)N=C=O)C

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC45C(O5)(C)N=C=O)C

InChI

InChI=1S/C22H27NO3/c1-19-9-6-15(25)12-14(19)4-5-16-17(19)7-10-20(2)18(16)8-11-22(20)21(3,26-22)23-13-24/h7,12,16,18H,4-6,8-11H2,1-3H3