Chemical Properties of Neosolaniol (CAS 36519-25-2)

Neosolaniol

InChI
InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13?,14-,15-,16?,17?,18?,19?/m0/s1
InChI Key
TVZHDVCTOCZDNE-MGIQOYISSA-N
Formula
C19H26O8
SMILES
CC(=O)OCC12CC(O)C(C)=CC1OC1C(O)C(OC(C)=O)C2(C)C12CO2
Molecular Weight1
382.40
CAS
36519-25-2
Other Names
  • 4-«beta»,15-Diacetoxy-3-«alpha»,8-«alpha»-dihydroxy-12,13-epoxytrichothec-9-ene
  • NSC 197212
  • Neozolaniol
  • Solaniol
  • Solaniol (sesquiterpene)
  • Trichothec-9-ene, 12,13-epoxy-4-«beta»,15-diacetoxy-3-«alpha»,8-«alpha»-dihydroxy-
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate
  • Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate, (3«alpha»,4«beta»,8«alpha»)-
  • Trichothec-9-ene-3-«alpha»,4-«beta»,8-«alpha»,15-tetrol, 12,13-epoxy-, 4,15-diacetate
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Physical Properties

Property Value Unit Source
ΔfusH° 52.40 kJ/mol Joback Calculated Property
logPoct/wat 0.096 Crippen Calculated Property
McVol 269.190 ml/mol McGowan Calculated Property
Inp [2652.00; 2652.00]   Show Hide
Inp 2652.00 NIST
Inp 2652.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [390.74; 1028.95] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.33689e+02
Coefficient B2.99988e+00
Coefficient C-2.93804e-03
Coefficient D1.20080e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 390.74 J/mol×K 273.00 Calculated Property
Cp,gas 513.05 J/mol×K 353.78 Calculated Property
Cp,gas 613.65 J/mol×K 434.56 Calculated Property
Cp,gas 696.34 J/mol×K 515.33 Calculated Property
Cp,gas 764.91 J/mol×K 596.11 Calculated Property
Cp,gas 823.16 J/mol×K 676.89 Calculated Property
Cp,gas 874.89 J/mol×K 757.67 Calculated Property
Cp,gas 923.91 J/mol×K 838.44 Calculated Property
Cp,gas 973.99 J/mol×K 919.22 Calculated Property
Cp,gas 1028.95 J/mol×K 1000.00 Calculated Property

Similar Compounds

T-2 Tetraol. 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»)-. ACETYL-T-2-TOXIN. Diacetoxyscirpenol. MONOACETOXYSCIRPENOL. GA3-13-O-glucoside, permethylated. Ouabain. «gamma»-Ponalactone. Digitoxin. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). azadirachtin. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. (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.

Find more compounds similar to Neosolaniol.

Sources

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