Steroids
3-Oxocholic acid
3-脱氢胆酸
PHY-NP-10801 · Natural product research catalog
| Catalog number | PHY-NP-10801 |
|---|---|
| CAS number | 2304-89-4 |
| Molecular formula | C24H38O5 |
| Molecular weight | 406.563 g/mol |
| Chemical class | Steroids |
| Main reported source | Nocardioides simplex |
| Purity / assay | Confirmed in quotation and batch COA |
Chemical structure
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
3-Oxocholic acid is listed in the Steroids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C |
| InChIKey | OEKUSRBIIZNLHZ-DJDNIQJZSA-N |
| Subclass / scaffold | Cholane steroids |
| PubChem CID | 5283956 |
Computed properties & structure classification
| Exact mass (Da) | 406.2719 | Predicted LogP | 3.6569 |
|---|---|---|---|
| Predicted TPSA (Ų) | 94.83 | H-bond donors | 3 |
| H-bond acceptors | 4 | Rotatable bonds | 4 |
| Ring count | 4 | Aromatic rings | 0 |
| Fraction Csp³ | 0.917 | Synthetic accessibility score | 4.54 |
| QED score | 0.662 | Lipinski rule violations | 0 |
| NPClassifier pathway | Terpenoids | NPClassifier superclass | Steroids |
| NPClassifier class | Cholane steroids | Parent SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| Parent formula | C24H38O5 | Parent molecular weight | 406.563 |
| Specified stereocenters | 10 | Unspecified stereocenters | 0 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Nocardioides simplex |
|---|---|
| LOTUS / Wikidata species | Nocardioides simplex(简单类诺卡氏菌)[1] |
| Source families | Nocardioidaceae[1] |
| LOTUS species records | 1 |
| LOTUS reference records | 1 |
| COCONUT occurrence records | Nocardioides simplex |
| COCONUT organism records | 1 |
| COCONUT identifier | CNP0373918.1 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.
