Confertiflorin

Base Information

• Chemical Name: Confertiflorin
• CAS No.: 17066-70-5
• Molecular Formula: C17H22 O5
• Molecular Weight: 306.35
• NSC Number: 155620
• DSSTox Substance ID: DTXSID601317242
• Nikkaji Number: J14.940C
• Wikidata: Q27106214
• ChEMBL ID: CHEMBL409627
• Mol file: 17066-70-5.mol

Synonyms:Confertiflorin;17066-70-5;(+)-Confertiflorin;CHEBI:3854;CHEMBL409627;DTXSID601317242;BDBM50234867;NSC155620;NSC-155620;[(3aR,4S,6S,6aS,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,7,8,9b-octahydroazuleno[4,5-b]furan-4-yl] acetate;C09374;Q27106214;(3aR,6abeta,9bbeta)-Dodecahydro-4beta-acetyloxy-6alpha,9aalpha-dimethyl-3-methyleneazuleno[4,5-b]furan-2,9-dione

Chemical Property of Confertiflorin

Chemical Property:

• Vapor Pressure: 1.57E-08mmHg at 25°C
• Boiling Point: 456.8°C at 760 mmHg
• Flash Point: 202°C
• PSA: 69.67000
• Density: 1.2g/cm³
• LogP: 2.04110
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 306.14672380
• Heavy Atom Count: 22
• Complexity: 565

Purity/Quality:

99% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2C(C3(C1CCC3=O)C)OC(=O)C2=C)OC(=O)C
• Isomeric SMILES: C[C@H]1C[C@@H]([C@@H]2[C@H]([C@]3([C@H]1CCC3=O)C)OC(=O)C2=C)OC(=O)C

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