| CAS Number | 209253-80-5 |
| Catalog Number | AG002K4Q(AGN-PC-02ZKNM) |
| Chemical Name | 6β-Hydroxy Eplerenone |
| IUPAC Name | methyl 8-hydroxy-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate |
| InChI | InChI=1S/C24H30O7/c1-21-7-4-12(25)10-14(21)19(27)17(20(28)29-3)18-13-5-8-23(9-6-16(26)31-23)22(13,2)11-15-24(18,21)30-15/h10,13,15,17-19,27H,4-9,11H2,1-3H3 |
| InChI Key | DDHQRXOAZNEFKY-UHFFFAOYSA-N |
| MDL Number | MFCD01311759 |
| Molecular Formula | C24H30O7 |
| Molecular Weight | 430.4908 |
| SMILES | O=C1CC[C@@]2(C)C([C@H](O)[C@@H](C(OC)=O)[C@]3([H])[C@]2(O4)[C@H]4C[C@@]5(C)[C@@]3([H])CC[C@]56OC(CC6)=O)=C1 |
| Synonyms | 6beta-Hydroxy Eplerenone,
209253-80-5,
6|A-Hydroxy Eplerenone,
6 -Hydroxy Eplerenone,
CTK8E8641,
AKOS030255566,
RT-010733,
FT-0669580,
J-013718,
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| Complexity | 940 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 430.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 430.497g/mol |
| Monoisotopic Mass | 430.199g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 9 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number