Calcitroic Acid
Calcitroic Acid structure
|
Common Name | Calcitroic Acid | ||
|---|---|---|---|---|
| CAS Number | 71204-89-2 | Molecular Weight | 374.51400 | |
| Density | 1.15g/cm3 | Boiling Point | 572.5ºC at 760 mmHg | |
| Molecular Formula | C23H34O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 314.1ºC | |
Summary: Calcitroic Acid (Chinese name: 钙利托酸, CAS number: 71204-89-2) has a molecular formula of C23H34O4 and a molecular weight of 374.51400. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | calcitroic 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 | 1.15g/cm3 |
|---|---|
| Boiling Point | 572.5ºC at 760 mmHg |
| Molecular Formula | C23H34O4 |
| Molecular Weight | 374.51400 |
| Flash Point | 314.1ºC |
| Exact Mass | 374.24600 |
| PSA | 77.76000 |
| LogP | 4.23820 |
| Index of Refraction | 1.568 |
| InChIKey | MBLYZRMZFUWLOZ-HPXZNILJSA-N |
| SMILES | C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CC(=O)O)CC(O)CC1O |
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 6 | |
|---|---|
| DownStream 0 | |
CAS#:71203-48-0
CAS#:1474-14-2
CAS#:75716-75-5![methyl (3R)-3-((1R,3aS,7aR,E)-4-((2R)-2-((3S)-3-hydroxy-2-methylenebicyclo[3.1.0]hexan-1-yl)-2-methoxyethylidene)-7a-methyloctahydro-1H-inden-1-yl)butanoate Structure](https://image.chemsrc.com/caspic/283/75731-73-6.png)
CAS#:75731-73-6
CAS#:75731-72-5![methyl (R)-3-((3S,9S,10R,13R,14R,17R)-3-acetoxy-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoate Structure](https://image.chemsrc.com/caspic/173/75716-73-3.png)
CAS#:75716-73-3This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells a...
Source: ChEMBL
Target: Vitamin D3 receptor
External Id: CHEMBL3766236
|
|
Name: Agonist activity at VDR-LBD in human DU145 cells assessed as CYP24A1 expression at 7....
Source: ChEMBL
Target: Vitamin D3 receptor
External Id: CHEMBL3766413
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Rugulosin,8,8'-dihydroxy |
| 3-[(1R,3aS,4E,7aR)-4-{(2E)-2-[(3S,5R)-3,5-Dihydroxy-2-methylenecy clohexylidene]ethylidene}-7a-methyloctahydro-1H-inden-1-yl]butano ic acid (non-preferred name) |
| 8,8'-Dihydroxyrugulosin |
| Flavomycelin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of calcitroic acid? |
| A: Molecular formula of calcitroic acid is C23H34O4. |
| Q: What is the CAS number of calcitroic acid? |
| A: CAS number of calcitroic acid is 71204-89-2. |
| Q: What is the SMILES notation of calcitroic acid? |
| A: SMILES notation of calcitroic acid is C=C1C(=CC=C2CCCC3(C)C2CCC3C(C)CC(=O)O)CC(O)CC1O. |
| Q: What is the polar surface area (PSA) of calcitroic acid? |
| A: Polar surface area (PSA) of calcitroic acid is 77.76000. |
| Q: What is the InChIKey of calcitroic acid? |
| A: InChIKey of calcitroic acid is MBLYZRMZFUWLOZ-HPXZNILJSA-N. |
| Q: What is the boiling point of calcitroic acid? |
| A: Boiling point of calcitroic acid is 572.5ºC at 760 mmHg. |
| Q: What are the upstream materials of calcitroic acid? |
| A: Related upstream materials(CAS) of calcitroic acid: 71203-48-0;1474-14-2;75716-75-5;75731-73-6;75731-72-5;75716-73-3. |
| Q: What is the molecular weight of calcitroic acid? |
| A: Molecular weight of calcitroic acid is 374.51400. |
| Q: What is the English name of calcitroic acid? |
| A: The English name of calcitroic acid is calcitroic acid. |
| Q: What is the LogP of calcitroic acid? |
| A: LogP of calcitroic acid is 4.23820. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |