Cobaltous benzoate
[2-[(7S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-7,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: COBALTOUS BENZOATE|KST-1A8998|(7|A,11|A)-11,17-dihydroxy-7-methyl-3,20-dioxopregn-4-en-21-yl acetate|[2-[(7S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-7,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C24H34O6 |
|---|---|
| Molecular Weight | 418.23553 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.23553 |
| Monoisotopic Mass | 418.23553 |
| Heavy Atoms | 30 |
| Complexity | 817.0 |
Chemical Identifiers
| CAS Number | 7247-98-5 |
|---|---|
| SMILES | C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@]([C@]4(C[C@@H]3O)C)(C(=O)COC(=O)C)O)C |
| InChIKey | ZWFSSTRQQHGWAU-JIKNWKIHSA-N |
Product Overview
Cobaltous benzoate (CAS 7247-98-5), with molecular formula C24H34O6 and molecular weight 418.23553 g/mol. IUPAC: [2-[(7S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-7,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
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