Cucurbitacin S

Base Information

• Chemical Name: Cucurbitacin S
• CAS No.: 60137-06-6
• Molecular Formula: C30H42O6
• Molecular Weight: 498.656
• DSSTox Substance ID: DTXSID80975565
• Nikkaji Number: J18.056D
• Wikidata: Q27106271
• Metabolomics Workbench ID: 34421
• Mol file: 60137-06-6.mol

Synonyms:Cucurbitacin;cucurbitacins

Chemical Property of Cucurbitacin S

Chemical Property:

• Vapor Pressure: 1.1E-19mmHg at 25°C
• Refractive Index: 1.576
• Boiling Point: 650.7 °C at 760 mmHg
• Flash Point: 208.8 °C
• PSA: 100.90000
• Density: 1.22 g/cm³
• LogP: 4.74490
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 498.29813906
• Heavy Atom Count: 36
• Complexity: 1110

Purity/Quality:

98%,99%, ^*data from raw suppliers

CucurbitacinS ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C(CC3(C2(CC(=O)C4(C3CC=C5C4C=C(C(=O)C5(C)C)O)C)C)C)OC(CC1=O)C(C)(C)O
• Isomeric SMILES: C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C=C(C(=O)C5(C)C)O)C)C)C)O[C@@H](CC1=O)C(C)(C)O
• Uses: Cucurbitacin S is a biochemical compound from the family of Cucurbitacins. Cucurbitacins are known for their anti-inflammatory, anti-tumor and anti-oxidant efects. In the wild, watermelons, cucumbers, and muskmelons produce bitter Cucurbitacins to defend against preditors. Humans have bred these fruits to eliminate these compounds thereby yielding fruits that are more appealing to our palate.