6-Oxoestriol (carboxymethyl)oxime
2-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]oxyacetic acid
Also Known As: 6-Oxoestriol (carboxymethyl)oxime
CAS: 37654-41-4
| Molecular Formula | C20H25NO6 |
|---|---|
| Molecular Weight | 375.16818 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.16818 |
| Monoisotopic Mass | 375.16818 |
| Heavy Atoms | 27 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 37654-41-4 |
|---|---|
| SMILES | C[C@]12CCC3C(C1C[C@H]([C@@H]2O)O)CC(=NOCC(=O)O)C4=C3C=CC(=C4)O |
| InChIKey | HXNCOPXZMVYOSZ-CRRUCVGWSA-N |
Product Overview
6-Oxoestriol (carboxymethyl)oxime (CAS 37654-41-4), with molecular formula C20H25NO6 and molecular weight 375.16818 g/mol. IUPAC: 2-[[(13S,16R,17R)-3,16,17-trihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene]amino]oxyacetic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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