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Ochrephilone

Base Information
  • Chemical Name:Ochrephilone
  • CAS No.:53014-38-3
  • Molecular Formula:C23H26O5
  • Molecular Weight:382.4495
  • Hs Code.:
  • DSSTox Substance ID:DTXSID101346747
  • Wikidata:Q105106224
  • ChEMBL ID:CHEMBL1570323
  • Mol file:53014-38-3.mol
Ochrephilone

Synonyms:Ochrephilone;53014-38-3;(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione;MLS000876965;SMR000440628;6H-Furo(2,3-h)-2-benzopyran-6,8(6aH)-dione, 9acetyl-3-((1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl)-9-9a-dihydro-6a-methyl;6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9acetyl-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-9-9a-dihydro-6a-methyl;MEGxm0_000198;CHEMBL1570323;ACon0_000532;ACon1_000466;BDBM83238;cid_6451074;DTXSID101346747;HMS2271J14;AKOS040734784;NCGC00169052-01;NCGC00169052-03;(6aR,9R,9aR)-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-9-ethanoyl-6a-methyl-9,9a-dihydrofuro[2,3-h]isochromene-6,8-dione;(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofur[2,3-h]isochromene-6,8-quinone;(6aR,9R,9aR)-9-acetyl-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6a-methyl-9,9a-dihydrofuro[2,3-h][2]benzopyran-6,8-dione

Suppliers and Price of Ochrephilone
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of Ochrephilone
Chemical Property:
  • Vapor Pressure:1.06E-14mmHg at 25°C 
  • Boiling Point:607.4°Cat760mmHg 
  • PKA:10.53±0.60(Predicted) 
  • Flash Point:264.1°C 
  • PSA:69.67000 
  • Density:1.19g/cm3 
  • LogP:3.97900 
  • XLogP3:3.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:5
  • Exact Mass:382.17802393
  • Heavy Atom Count:28
  • Complexity:883
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCC(C)C=C(C)C=CC1=CC2=CC(=O)C3(C(C2=CO1)C(C(=O)O3)C(=O)C)C
  • Isomeric SMILES:CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@]3([C@@H](C2=CO1)[C@@H](C(=O)O3)C(=O)C)C
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