7-Deoxynivalenol triacetate

Base Information

• Chemical Name: 7-Deoxynivalenol triacetate
• CAS No.: 1930-11-6
• Molecular Formula: C₂₁H₂₆O₉
• Molecular Weight: 422.432
• UNII: TXL3H97VGM

Synonyms:7-Deoxynivalenol triacetate;TXL3H97VGM;UNII-TXL3H97VGM;1930-11-6;Scirpen-8-one, 3alpha,4beta,15-trihydroxy-, triacetate;(3alpha,4beta)-3,4,15-Tris(acetyloxy)-12,13-epoxytrichothec-9-en-8-one;Trichothec-9-en-8-one, 3,4,15-tris(acetyloxy)-12,13-epoxy-, (3alpha,4beta)-;SCIRPEN-8-ONE, 3.ALPHA.,4.BETA.,15-TRIHYDROXY-, TRIACETATE;(3.ALPHA.,4.BETA.)-3,4,15-TRIS(ACETYLOXY)-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE;TRICHOTHEC-9-EN-8-ONE, 3,4,15-TRIS(ACETYLOXY)-12,13-EPOXY-, (3.ALPHA.,4.BETA.)-

Chemical Property of 7-Deoxynivalenol triacetate

Chemical Property:

• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 422.15768240
• Heavy Atom Count: 30
• Complexity: 863

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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2C(CC1=O)(C3(C(C(C(C34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C
• Isomeric SMILES: CC1=C[C@@H]2[C@](CC1=O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)OC(=O)C)C)COC(=O)C

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