Diacetyl benzoyl lathyrol

Base Information

• Chemical Name: Diacetyl benzoyl lathyrol
• CAS No.: 218916-52-0
• Molecular Formula: C31H38 O7
• Molecular Weight: 522.63
• UNII: 8986760I2S
• DSSTox Substance ID: DTXSID40176293
• Wikidata: Q27270021
• Metabolomics Workbench ID: 142537
• ChEMBL ID: CHEMBL552128
• Mol file: 218916-52-0.mol

Synonyms:Diacetyl benzoyl lathyrol;5,15-Diacetyl-3-benzoyllathyrol;218916-52-0;Euphorbia factor L3;8986760I2S;[(1R,3E,5R,7S,11R,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate;Lathyrol-3,15-diacetate 5-benzoate;CHEMBL552128;DTXSID40176293;CHEBI:136008;UNII-8986760I2S;HY-N0562;MFCD09752801;s9279;CS-6028;DB11260;DIACETYL BENZOYL LATHYROL [INCI];NCGC00385054-01;AC-34587;Gongjinhyang seol whitening intensive cream;Q27270021;NCGC00385054-01_C31H38O7_4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 4a,8-bis(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1,1,3,6-tetramethyl-9-methylene-, (1aR,2E,4aR,6S,7S,7aR,8R,11aS)-

Chemical Property of Diacetyl benzoyl lathyrol

Chemical Property:

• Boiling Point: 595.5±50.0 °C(Predicted)
• PSA: 95.97000
• Density: 1.19
• LogP: 5.23920
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 522.26175355
• Heavy Atom Count: 38
• Complexity: 1030

Purity/Quality:

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

5,15-Diacetyl-3-benzoyllathyrol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C(=C)CCC4C(C4(C)C)C=C(C2=O)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\C)OC(=O)C)OC(=O)C
• Uses: Lathyrol-3,15-diacetate-5-benzoate could induce apoptosis in lung cancer A549 cells through the mitochondrial pathway including the loss of mitochondrial potential and release of cytochrome c.