(3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid
(3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid structure
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Common Name | (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid | ||
|---|---|---|---|---|
| CAS Number | 54963-52-9 | Molecular Weight | 486.683 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 616.9±55.0 °C at 760 mmHg | |
| Molecular Formula | C30H46O5 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 340.9±28.0 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 616.9±55.0 °C at 760 mmHg |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.683 |
| Flash Point | 340.9±28.0 °C |
| Exact Mass | 486.334534 |
| PSA | 94.83000 |
| LogP | 5.49 |
| Vapour Pressure | 0.0±4.0 mmHg at 25°C |
| Index of Refraction | 1.574 |
| InChIKey | HQZKQSIAHGHXDL-NQVWHBNJSA-N |
| SMILES | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of rat intestinal sucrase using p-nitrophenyl-alpha-d-glucopyranoside as s...
Source: ChEMBL
Target: Sucrase-isomaltase, intestinal
External Id: CHEMBL3118983
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Name: Cytotoxicity against mock-infected human H9 cells after 4 days
Source: ChEMBL
Target: H9
External Id: CHEMBL1004249
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Name: Antiinflammatory activity in human PMNC assessed as inhibition of proliferation
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL990222
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Name: Therapeutic index, ratio of IC50 for human H9 cells to EC50 for HIV1 3B
Source: ChEMBL
Target: N/A
External Id: CHEMBL1004250
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Name: Antiviral activity against HIV1 3B in human H9 cells after 4 days by p24 antigen ELIS...
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL1004248
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3Beta)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid |
| (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: SMILES notation of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC43C)C2C1(C)O. |
| Q: What is the molecular formula of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: Molecular formula of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is C30H46O5. |
| Q: What is the molecular weight of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: Molecular weight of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is 486.683. |
| Q: What is the polar surface area (PSA) of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: Polar surface area (PSA) of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is 94.83000. |
| Q: What is the English name of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: The English name of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid. |
| Q: What is the InChIKey of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: InChIKey of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is HQZKQSIAHGHXDL-NQVWHBNJSA-N. |
| Q: What is the boiling point of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: Boiling point of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is 616.9±55.0 °C at 760 mmHg. |
| Q: What is the CAS number of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: CAS number of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is 54963-52-9. |
| Q: What English synonyms does (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid have? |
| A: English synonyms of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid: (3Beta)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid, (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid. |
| Q: What is the LogP of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid? |
| A: LogP of (3β)-3,19-Dihydroxy-2-oxours-12-en-28-oic acid is 5.49. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |