7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate

Base Information

• Chemical Name: 7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate
• CAS No.: 78697-56-0
• Molecular Formula: C22H24 O8
• Molecular Weight: 416.42
• DSSTox Substance ID: DTXSID30999953
• Wikidata: Q27116288
• Mol file: 78697-56-0.mol

Synonyms:7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate;CHEBI:34824;DTXSID30999953;Q27116288;[(1R,2S,4S,10R,12R,14R,15R)-7-Formyl-12,14-dimethyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

Chemical Property of 7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate

Chemical Property:

• Vapor Pressure: 5.01E-13mmHg at 25°C
• Melting Point: 164-166°
• Boiling Point: 570.5°C at 760 mmHg
• Flash Point: 298.8°C
• PSA: 107.87000
• Density: 1.29g/cm³
• LogP: 2.44540
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 430.16276778
• Heavy Atom Count: 31
• Complexity: 855

Purity/Quality:

LOPHOTOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C)C1CC(C23C(O2)C(CC4(C(O4)C5=CC(=C(C1)O5)C=O)C)(OC3=O)C)OC(=O)C
• Isomeric SMILES: CC(=C)[C@H]1C[C@@H]([C@]23[C@H](O2)[C@@](C[C@@]4([C@@H](O4)C5=CC(=C(C1)O5)C=O)C)(OC3=O)C)OC(=O)C