Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,7alpha)-

Base Information

• Chemical Name: Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,7alpha)-
• CAS No.: 59121-84-5
• Molecular Formula: C19H26 O8
• Molecular Weight: 382.4

Synonyms:Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,7alpha)-;59121-84-5

Chemical Property of Trichothec-9-ene-3,4,7,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3alpha,4beta,7alpha)-

Chemical Property:

• Vapor Pressure: 5.65E-13mmHg at 25°C
• Boiling Point: 519.7°C at 760 mmHg
• Flash Point: 181.8°C
• PSA: 114.82000
• Density: 1.38g/cm³
• LogP: 0.09570
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 382.16276778
• Heavy Atom Count: 27
• Complexity: 719

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(C(C1)O)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
• Isomeric SMILES: CC1=C[C@@H]2[C@]([C@@H](C1)O)([C@]3([C@@H]([C@H](C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C

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