1-bromoethyl carbonate; 10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 1-bromoethyl carbonate; 10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: 1-bromoethyl carbonate; 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: 1-bromoethyl carbonate; 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 1-bromoethyl carbonate; 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: 1-bromoethyl carbonate; 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C22H32BrO5- MolecularWeight: 456.39048

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)[O-])Br.CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

Isomeric SMILES

CC(OC(=O)[O-])Br.CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C

InChI

InChI=1S/C19H28O2.C3H5BrO3/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18;1-2(4)7-3(5)6/h11,14-17,21H,3-10H2,1-2H3;2H,1H3,(H,5,6)/p-1