Calendula

Base Information

• Chemical Name: Calendula
• CAS No.: 10070-48-1
• Molecular Formula: C30H50 O2
• Molecular Weight: 442.726
• NSC Number: 133914,92227
• DSSTox Substance ID: DTXSID10905678
• Wikidata: Q104913089
• Mol file: 10070-48-1.mol

Synonyms:10070-48-1;3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-4,9-diol;Calendula;NSC92227;lup-20(29)-ene-3,16-diol;DTXSID10905678;NSC133914;NCI60_042039

Chemical Property of Calendula

Chemical Property:

• Vapor Pressure: 6.67E-13mmHg at 25°C
• Boiling Point: 518.1°Cat760mmHg
• Flash Point: 208.7°C
• PSA: 40.46000
• Density: 1.021g/cm³
• LogP: 6.99560
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 442.381080833
• Heavy Atom Count: 32
• Complexity: 801

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C
• Recent ClinicalTrials: StrataXRT for the Prevention and Treatment of Radiation Dermatitis in Breast Cancer or Head and Neck Cancer Patients
• Uses: Calenduladiol is a new triterpene diol from Calendula officinalis flowers. Calenduladiol is a triterpenoid that possesses valuable potential medicinal properties ranging from anti-microbial to anti-?cancer properties.