7alpha-Hydroxydehydrocostus lactone

Base Information

• Chemical Name: 7alpha-Hydroxydehydrocostus lactone
• CAS No.: 64225-27-0
• Molecular Formula: C15H18 O3
• Molecular Weight: 246.3016
• DSSTox Substance ID: DTXSID20331782
• Nikkaji Number: J2.770.053E
• Wikidata: Q27105612
• ChEMBL ID: CHEMBL465817

Synonyms:7alpha-Hydroxydehydrocostus lactone;64225-27-0;CHEBI:2294;Zaluzanin;(3aR,6aR,9aR,9bR)-3a-hydroxy-3,6,9-trimethylidene-5,6a,7,8,9a,9b-hexahydro-4H-azuleno[4,5-b]furan-2-one;CHEMBL465817;MEGxp0_001622;ACon1_002448;DTXSID20331782;(3aR,6aR,9aR,9bR)-3a-hydroxy-3,6,9-trimethylene-5,6a,7,8,9a,9b-hexahydro-4H-azuleno[4,5-b]furan-2-one;7-.alpha.-Hydroxydehydrocostus lactone;NCGC00169837-01;C09476;BRD-K14897936-001-01-5;Q27105612

Chemical Property of 7alpha-Hydroxydehydrocostus lactone

Chemical Property:

• Vapor Pressure: 2.94E-09mmHg at 25°C
• Boiling Point: 431.6°Cat760mmHg
• Flash Point: 185.6°C
• Density: 1.18g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 246.125594432
• Heavy Atom Count: 18
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1CCC2(C(C3C1CCC3=C)OC(=O)C2=C)O
• Isomeric SMILES: C=C1CC[C@@]2([C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C)O

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