(3β,4Alpha)-4,15-Dihydroxy-12,13-Epoxytrichothec-9-En-3-Yl Acetate

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Properties Simple | Detailed

Formula C17H24O6
IUPAC Name (3beta,4alpha)-4,15-dihydroxy-12,13-epoxytrichothec-9-en-3-yl acetate
Molecular Mass 324.369 g·mol−1
Heat of Formation -966.8 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 373.26 Å 3
Surface Area 301.27 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3-alpha,4-beta-)-3-acetoxyscirpene-4,15-diol
  • 3-acetoxyscirpene-4,15-diol
  • trichothec-9-ene-3,4,15-triol, 12,13-epoxy-, 3-acetate, (3alpha,4beta)-
CAS Number(s)
  • 70402-13-0
InChIKey NFFRTZSZVQIMDJ-OINWIYPRSA-N
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