Dracorubin

Base Information

• Chemical Name: Dracorubin
• CAS No.: 6219-63-2
• Molecular Formula: C₃₂H₂₄O₅
• Molecular Weight: 488.54
• DSSTox Substance ID: DTXSID40977767
• Wikidata: Q27106444
• Metabolomics Workbench ID: 68247
• ChEMBL ID: CHEMBL485799
• Mol file: 6219-63-2.mol

Synonyms:Dracorubin;6219-63-2;CHEBI:4714;CHEMBL485799;NSC 372201;C.I. 75200;2H,9H-Dipyrano(2,3-a:2',3',4'-kl)xanthen-9-one, 3,4-dihydro-5-methoxy-8-methyl-2,12-diphenyl-, (-)-;AC1L4NCH;AC1Q6BI0;C32H24O5;C32-H24-O5;2H,9H-Dipyrano[2,3-a:2',3',4'-kl]xanthen-9-one, 3,4-dihydro-5-methoxy-8-methyl-2,12-diphenyl-, (-)-;(2s)-5-methoxy-8-methyl-2,12-diphenyl-3,4-dihydro-2h,9h-dipyrano[2,3-a:2',3',4'-kl]xanthen-9-one;DTXSID40977767;C09726;Q27106444;5-Methoxy-8-methyl-2,12-diphenyl-3,4-dihydro-2H,9H-dipyrano[2,3-a:2',3',4'-kl]xanthen-9-one

Chemical Property of Dracorubin

Chemical Property:

• Melting Point: 314-315 °C
• Boiling Point: 767.3±60.0 °C(Predicted)
• Flash Point: 324.9oC
• PSA: 61.81000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 7.74270
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 488.16237386
• Heavy Atom Count: 37
• Complexity: 1070

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C3=C(C=C(OC3=CC1=O)C4=CC=CC=C4)C5=C6C(=C(C=C5O2)OC)CCC(O6)C7=CC=CC=C7
• Isomeric SMILES: CC1=C2C3=C(C=C(OC3=CC1=O)C4=CC=CC=C4)C5=C6C(=C(C=C5O2)OC)CC[C@H](O6)C7=CC=CC=C7