
CAS Number976-70-5
SynonymsExact Mass 342.21900; PSA 43.37000; LogP 4.59410; Index of Refraction 1.565; InChIKey UWBICEKKOYXZRG-WNHSNXHDSA-N; 3-oxopregn-4-ene-21,17alpha-carbolactoneBioassay; View more; Source: Johns Hopkins Ion Channel Center; Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]; External Id: JHICC_RGS_Act_HTS; Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...; Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]; External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN; Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...; Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]; External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN; Name: Fluorescence-based ce
Molecular FormulaC22H30O3
Molecular Weight342.47
Density1.17g/cm3
Boiling Point522.8ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 976-70-5 |
| Catalog No. | 2A-3178399 |
| Chinese Name | 3-oxopregn-4-ene-21,17alpha-carbolactone |
| Synonyms | Exact Mass 342.21900; PSA 43.37000; LogP 4.59410; Index of Refraction 1.565; InChIKey UWBICEKKOYXZRG-WNHSNXHDSA-N; 3-oxopregn-4-ene-21,17alpha-carbolactoneBioassay; View more; Source: Johns Hopkins Ion Channel Center; Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]; External Id: JHICC_RGS_Act_HTS; Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...; Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]; External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN; Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...; Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]; External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN; Name: Fluorescence-based ce |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.47 |
| Density | 1.17g/cm3 |
| Boiling Point | 522.8ºC at 760 mmHg |
| SMILES | O1[C@@]2([C@@]3([C@H]([C@H]4[C@@H]([C@]5(CCC(=O)C=C5CC4)C)CC3)CC2)C)CCC1=O |
| InChI | 1S/C22H30O3/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/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1 |
| InChI Key | UWBICEKKOYXZRG-WNHSNXHDSA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/179039_1_976_70_5.pdf |
| Transport Info | Product Name: Spironolactone EP Impurity C |
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