methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate
methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate structure
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Common Name | methyl 3-alpha,7-alpha-diacetoxy-12-alpha-hydroxy-5-beta-cholan-24-oate | ||
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| CAS Number | 3749-87-9 | Molecular Weight | 506.67100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C29H46O7 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate |
|---|---|
| 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.
| Molecular Formula | C29H46O7 |
|---|---|
| Molecular Weight | 506.67100 |
| Exact Mass | 506.32400 |
| PSA | 99.13000 |
| LogP | 4.67870 |
| InChIKey | VKXXPYARELKQOY-CXFLVZIOSA-N |
| SMILES | COC(=O)CCC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CC(O)C12C |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
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| DownStream 9 | |
![methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate structure](https://image.chemsrc.com/caspic/091/10538-64-4.png)
CAS#:10538-64-4
CAS#:1249-70-3
CAS#:3245-38-3
CAS#:3701-54-0
CAS#:1448-36-8
CAS#:4651-67-6
CAS#:474-25-9
CAS#:10538-55-3
CAS#:1249-75-8This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Induction of HIV1 NL4-3 virus replication in CEM-GFP cells
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL870660
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-saeure-methylester |
| methyl 3α,7α-diacetoxy-12α-hydroxy cholanate |
| 12α-Hydroxy-3α,7α-diacetoxy-5β-cholansaeure-(24)-methylester |
| methyl 3,7-diacetoxycholate |
| 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: InChIKey of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is VKXXPYARELKQOY-CXFLVZIOSA-N. |
| Q: What are the downstream products of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: Related downstream products(CAS) of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate: 10538-64-4;1249-70-3;3245-38-3;3701-54-0;1448-36-8;4651-67-6;474-25-9;10538-55-3;1249-75-8. |
| Q: What is the molecular formula of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: Molecular formula of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is C29H46O7. |
| Q: What is the LogP of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: LogP of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is 4.67870. |
| Q: What English synonyms does Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate have? |
| A: English synonyms of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate: 3α,7α-Diacetoxy-12α-hydroxy-5β-cholan-24-saeure-methylester, methyl 3α,7α-diacetoxy-12α-hydroxy cholanate, 12α-Hydroxy-3α,7α-diacetoxy-5β-cholansaeure-(24)-methylester, methyl 3,7-diacetoxycholate, 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oic acid methyl ester. |
| Q: What is the molecular weight of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: Molecular weight of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is 506.67100. |
| Q: What is the SMILES notation of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: SMILES notation of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is COC(=O)CCC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CC(O)C12C. |
| Q: What is the polar surface area (PSA) of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: Polar surface area (PSA) of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is 99.13000. |
| Q: What is the English name of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate? |
| A: The English name of Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate is Methyl 3α,7α-diacetoxy-12α-hydroxy-5β-cholan-24-oate. |
| Q: What is the Chinese name of 3749-87-9? |
| A: Chinese name of 3749-87-9 is 3749-87-9. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |