911-40-0 Purity
95%
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Specification
The molecular formula of Delta 9,11-canrenone is C22H26O3.
The molecular weight of Delta 9,11-canrenone is 338.4 g/mol.
Delta 9,11-canrenone was created on October 26, 2006, and modified on December 2, 2023.
The IUPAC name of Delta 9,11-canrenone is (8S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione.
The InChI of Delta 9,11-canrenone is InChI=1S/C22H26O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,6,13,16,18H,5,7-12H2,1-2H3/t16-,18+,20+,21+,22-/m1/s1.
The InChIKey of Delta 9,11-canrenone is MCNZISFQKMPWRJ-DOYHNPMNSA-N.
The canonical SMILES of Delta 9,11-canrenone is CC12CCC(=O)C=C1C=CC3C2=CCC4(C3CCC45CCC(=O)O5)C.
The isomeric SMILES of Delta 9,11-canrenone is C[C@]12CCC(=O)C=C1C=C[C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C.
The CAS number of Delta 9,11-canrenone is 95716-71-5.
Delta 9,11-canrenone has 3 hydrogen bond acceptor count.