Chemical Properties of 4-Methoxy-6-((1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole

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

InChI
InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3
InChI Key
DHWUVPPRBIJJKS-UHFFFAOYSA-N
Formula
C23H26O8
SMILES
COc1cc(C2OCC3C(c4cc(OC)c5c(c4)OCO5)OCC23)cc(OC)c1OC
Molecular Weight1
430.45
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Physical Properties

Property Value Unit Source
ΔfusH° 69.02 kJ/mol Joback Calculated Property
logPoct/wat 3.525 Crippen Calculated Property
McVol 301.790 ml/mol McGowan Calculated Property
Inp [3431.00; 3431.00]   Show Hide
Inp 3431.00 NIST
Inp 3431.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [447.40; 1052.14] 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 A1.62200e+01
Coefficient B1.81628e+00
Coefficient C-9.00360e-04
Coefficient D1.20000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 447.40 J/mol×K 273.00 Calculated Property
Cp,gas 551.41 J/mol×K 353.78 Calculated Property
Cp,gas 645.32 J/mol×K 434.56 Calculated Property
Cp,gas 729.53 J/mol×K 515.33 Calculated Property
Cp,gas 804.40 J/mol×K 596.11 Calculated Property
Cp,gas 870.33 J/mol×K 676.89 Calculated Property
Cp,gas 927.69 J/mol×K 757.67 Calculated Property
Cp,gas 976.86 J/mol×K 838.44 Calculated Property
Cp,gas 1018.21 J/mol×K 919.22 Calculated Property
Cp,gas 1052.14 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0008210; 0.0004364] Pa×s [714.67; 892.86] 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-1.02712e+01
Coefficient B2.26277e+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.714.67
Temperature range, max.892.86
η 0.0008210 Pa×s 714.67 Calculated Property
η 0.0007538 Pa×s 734.47 Calculated Property
η 0.0006953 Pa×s 754.27 Calculated Property
η 0.0006439 Pa×s 774.07 Calculated Property
η 0.0005986 Pa×s 793.87 Calculated Property
η 0.0005585 Pa×s 813.66 Calculated Property
η 0.0005228 Pa×s 833.46 Calculated Property
η 0.0004909 Pa×s 853.26 Calculated Property
η 0.0004623 Pa×s 873.06 Calculated Property
η 0.0004364 Pa×s 892.86 Calculated Property

Similar Compounds

5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-. 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. Benazepril Me. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. (2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran. 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. Acetylsenecivernine. Ethylmorphine, trimethylsilyl ether. PACLITAXEL.

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Sources

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