Pregnane-3,20-diol, (3α,5β,20S)
Pregnane-3,20-diol, (3α,5β,20S) structure
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Common Name | Pregnane-3,20-diol, (3α,5β,20S) | ||
|---|---|---|---|---|
| CAS Number | 80-92-2 | Molecular Weight | 320.50900 | |
| Density | 1.053g/cm3 | Boiling Point | 435.9ºC at 760 mmHg | |
| Molecular Formula | C21H36O2 | Melting Point | 240-242ºC | |
| MSDS | N/A | Flash Point | 191ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5β-Pregnane-3α,20α-diol |
|---|---|
| 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 | 1.053g/cm3 |
|---|---|
| Boiling Point | 435.9ºC at 760 mmHg |
| Melting Point | 240-242ºC |
| Molecular Formula | C21H36O2 |
| Molecular Weight | 320.50900 |
| Flash Point | 191ºC |
| Exact Mass | 320.27200 |
| PSA | 40.46000 |
| LogP | 4.38700 |
| Index of Refraction | 1.531 |
| InChIKey | YWYQTGBBEZQBGO-BERLURQNSA-N |
| SMILES | CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2942000000 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
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| DownStream 2 | |
CAS#:72984-71-5
CAS#:54353-11-6
CAS#:128-20-1
CAS#:6870-74-2
CAS#:53-42-9
CAS#:83680-23-3
CAS#:1174-69-2
CAS#:128-23-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2942000000 |
|---|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00064141 |
| Pregnane-3,20-diol, (3α,5β,20S) |
| EINECS 201-313-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 5β-Pregnane-3α,20α-diol? |
| A: InChIKey of 5β-Pregnane-3α,20α-diol is YWYQTGBBEZQBGO-BERLURQNSA-N. |
| Q: What is the English name of 5β-Pregnane-3α,20α-diol? |
| A: The English name of 5β-Pregnane-3α,20α-diol is 5β-Pregnane-3α,20α-diol. |
| Q: What are the upstream materials of 5β-Pregnane-3α,20α-diol? |
| A: Related upstream materials(CAS) of 5β-Pregnane-3α,20α-diol: 72984-71-5;54353-11-6;128-20-1;6870-74-2;53-42-9;83680-23-3;1174-69-2;128-23-4. |
| Q: What is the CAS number of 5β-Pregnane-3α,20α-diol? |
| A: CAS number of 5β-Pregnane-3α,20α-diol is 80-92-2. |
| Q: What is the polar surface area (PSA) of 5β-Pregnane-3α,20α-diol? |
| A: Polar surface area (PSA) of 5β-Pregnane-3α,20α-diol is 40.46000. |
| Q: What is the SMILES notation of 5β-Pregnane-3α,20α-diol? |
| A: SMILES notation of 5β-Pregnane-3α,20α-diol is CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C. |
| Q: What English synonyms does 5β-Pregnane-3α,20α-diol have? |
| A: English synonyms of 5β-Pregnane-3α,20α-diol: MFCD00064141, Pregnane-3,20-diol, (3α,5β,20S), EINECS 201-313-7. |
| Q: What is the boiling point of 5β-Pregnane-3α,20α-diol? |
| A: Boiling point of 5β-Pregnane-3α,20α-diol is 435.9ºC at 760 mmHg. |
| Q: What is the LogP of 5β-Pregnane-3α,20α-diol? |
| A: LogP of 5β-Pregnane-3α,20α-diol is 4.38700. |
| Q: What is the molecular formula of 5β-Pregnane-3α,20α-diol? |
| A: Molecular formula of 5β-Pregnane-3α,20α-diol is C21H36O2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |