Chemical Properties of Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)- (CAS 23255-69-8)

Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)-

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InChI
InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3
InChI Key
XGCUCFKWVIWWNW-UHFFFAOYSA-N
Formula
C17H22O8
SMILES
CC(=O)OC1C(O)C2OC3C=C(C)C(=O)C(O)C3(CO)C1(C)C21CO1
Molecular Weight1
354.35
CAS
23255-69-8
Other Names
  • Trichothec-9-en-8-one, 12,13-epoxy-3«alpha»,4«beta»,7«beta»,15-tetrahydroxy-, 4-acetate
  • Fusarenon X
  • Fusarenone X
  • Fusarenon
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Physical Properties

Property Value Unit Source
Δf -655.13 kJ/mol Joback Calculated Property
Δfgas -1207.85 kJ/mol Joback Calculated Property
Δfus 44.87 kJ/mol Joback Calculated Property
Δvap 122.16 kJ/mol Joback Calculated Property
log10WS -0.67 Crippen Calculated Property
logPoct/wat -1.296 Crippen Calculated Property
McVol 241.010 ml/mol McGowan Calculated Property
Pc 2721.17 kPa Joback Calculated Property
Inp [2485.00; 2485.00]   Show Hide
Inp 2485.00 NIST
Inp 2485.00 NIST
Inp 2485.00 NIST
Tboil 1084.59 K Joback Calculated Property
Tc 1328.00 K Joback Calculated Property
Tfus 790.07 K Joback Calculated Property
Vc 0.905 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1001.12; 1284.47] J/mol×K [1084.59; 1328.00] Show Hide
Cp,gas 1001.12 J/mol×K 1084.59 Joback Calculated Property
Cp,gas 1037.63 J/mol×K 1125.16 Joback Calculated Property
Cp,gas 1077.83 J/mol×K 1165.73 Joback Calculated Property
Cp,gas 1122.16 J/mol×K 1206.30 Joback Calculated Property
Cp,gas 1171.08 J/mol×K 1246.86 Joback Calculated Property
Cp,gas 1225.03 J/mol×K 1287.43 Joback Calculated Property
Cp,gas 1284.47 J/mol×K 1328.00 Joback Calculated Property

Similar Compounds

Deoxynivalenol. T-2 toxin. T-2 Mycotoxin. Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-methylbutanoate), (3«alpha»,4«beta»,8«alpha»)-. Diacetoxyscirpenol. Trichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol, 12,13-epoxy-, 3,4,15-triacetate,8-isovalerate. Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Nalmefene, bis(trifluoroacetate). azadirachtin. (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate. 3',5'-Diacetylthymidine. 1«beta»-Acetoxyfuranoeudesm-3-ene. Neosolaniol. Desacetylanguidine. QUINIDINE, M(HO-), AC.

Find more compounds similar to Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3«alpha»,4«beta»,7«beta»)-.

Sources

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