96801-92-2
96801-92-2 structure
- Name: Chlorovaltrate K
- Chemical Name: ((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate
- CAS Number: 96801-92-2
- Molecular Formula: C22H33ClO8
- Molecular Weight: 460.95
- Catalog: Natural product Iridoid derivative
- Create Date: 2017-08-29 01:06:12
- Modify Date: 2025-08-20 21:15:23
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Chlorovaltrate K is a chlorinated valepotriate with anticancer effects. Chlorovaltrate K shows moderate cytotoxicity against A549, PC-3M, HCT-8 and Bel 7402 cell lines with IC50 values of 2.32-8.26 μM[1].
| Name | ((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate |
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| Synonyms |
Butanoic acid, 3-methyl-, [(1S,4aS,6S,7S,7aS)-6-(acetyloxy)-7-(chloromethyl)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester
{(1S,4aS,6S,7S,7aS)-6-Acetoxy-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}methyl 3-methylbutanoate |
| Description | Chlorovaltrate K is a chlorinated valepotriate with anticancer effects. Chlorovaltrate K shows moderate cytotoxicity against A549, PC-3M, HCT-8 and Bel 7402 cell lines with IC50 values of 2.32-8.26 μM[1]. |
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| References |
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 530.1±50.0 °C at 760 mmHg |
| Molecular Formula | C22H33ClO8 |
| Molecular Weight | 460.95 |
| Flash Point | 274.4±30.1 °C |
| Exact Mass | 460.186401 |
| PSA | 108.36000 |
| LogP | 2.28 |
| Vapour Pressure | 0.0±3.2 mmHg at 25°C |
| Index of Refraction | 1.518 |
| Hazard Codes | Xi |
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