Chemical Properties of 5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole (CAS 13060-15-6)

5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole

InChI
InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3
InChI Key
ONDWGDNAFRAXCN-UHFFFAOYSA-N
Formula
C22H24O7
SMILES
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc(OC)c1OC
Molecular Weight1
400.42
CAS
13060-15-6
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Physical Properties

Property Value Unit Source
ΔfusH° 65.63 kJ/mol Joback Calculated Property
logPoct/wat 3.516 Crippen Calculated Property
McVol 281.830 ml/mol McGowan Calculated Property
Inp [3212.80; 3212.80]   Show Hide
Inp 3212.80 NIST
Inp 3212.80 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [408.23; 985.09] 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-2.26700e+01
Coefficient B1.84396e+00
Coefficient C-1.02400e-03
Coefficient D1.87800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 408.23 J/mol×K 273.00 Calculated Property
Cp,gas 509.84 J/mol×K 353.78 Calculated Property
Cp,gas 600.67 J/mol×K 434.56 Calculated Property
Cp,gas 681.34 J/mol×K 515.33 Calculated Property
Cp,gas 752.44 J/mol×K 596.11 Calculated Property
Cp,gas 814.55 J/mol×K 676.89 Calculated Property
Cp,gas 868.28 J/mol×K 757.67 Calculated Property
Cp,gas 914.22 J/mol×K 838.44 Calculated Property
Cp,gas 952.96 J/mol×K 919.22 Calculated Property
Cp,gas 985.09 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0012124; 0.0006065] Pa×s [668.65; 858.12] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-9.85247e+00
Coefficient B2.09778e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.668.65
Temperature range, max.858.12
η 0.0012124 Pa×s 668.65 Calculated Property
η 0.0011017 Pa×s 689.70 Calculated Property
η 0.0010068 Pa×s 710.75 Calculated Property
η 0.0009248 Pa×s 731.81 Calculated Property
η 0.0008536 Pa×s 752.86 Calculated Property
η 0.0007913 Pa×s 773.91 Calculated Property
η 0.0007365 Pa×s 794.96 Calculated Property
η 0.0006880 Pa×s 816.02 Calculated Property
η 0.0006449 Pa×s 837.07 Calculated Property
η 0.0006065 Pa×s 858.12 Calculated Property

Similar Compounds

1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-. 4-Methoxy-6-((1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. 12-O-Methylcarnosol. (2S,3S,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 2,4-Bis(4-methoxyphenyl)-3,5-dimethyltetrahydrofuran. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol. CODEIN-PROPIONYL. Morphine-3-acetate. Diacetylmorphine. 3-propionyl-morphine. Brucine.

Find more compounds similar to 5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole.

Sources

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