Chemical Properties of 4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]- (CAS 81955-10-4)

4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]-

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InChI
InChI=1S/C24H38O3/c1-21(2)15-7-9-23(21,5)19-13(15)11-17(26-19)25-18-12-14-16-8-10-24(6,20(14)27-18)22(16,3)4/h13-20H,7-12H2,1-6H3
InChI Key
VUDXCBLBKXFCNA-UHFFFAOYSA-N
Formula
C24H38O3
SMILES
CC1(C)C2CCC1(C)C1OC(OC3CC4C5CCC(C)(C4O3)C5(C)C)CC21
Molecular Weight1
374.56
CAS
81955-10-4
Other Names
  • (+)-Noe's reagent
  • (+)-MBF-OH dimer
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Physical Properties

Property Value Unit Source
ΔfG° 146.04 kJ/mol Joback Calculated Property
ΔfH°gas -571.51 kJ/mol Joback Calculated Property
ΔfusH° 40.91 kJ/mol Joback Calculated Property
ΔvapH° 73.81 kJ/mol Joback Calculated Property
log10WS -6.00 Crippen Calculated Property
logPoct/wat 5.378 Crippen Calculated Property
McVol 301.470 ml/mol McGowan Calculated Property
Pc 1327.14 kPa Joback Calculated Property
Tboil 846.76 K Joback Calculated Property
Tc 1083.09 K Joback Calculated Property
Tfus 606.37 K Joback Calculated Property
Vc 1.151 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1124.65; 1362.56] J/mol×K [846.76; 1083.09] Show Hide
Cp,gas 1124.65 J/mol×K 846.76 Joback Calculated Property
Cp,gas 1158.18 J/mol×K 886.15 Joback Calculated Property
Cp,gas 1193.29 J/mol×K 925.54 Joback Calculated Property
Cp,gas 1230.65 J/mol×K 964.93 Joback Calculated Property
Cp,gas 1270.88 J/mol×K 1004.31 Joback Calculated Property
Cp,gas 1314.63 J/mol×K 1043.70 Joback Calculated Property
Cp,gas 1362.56 J/mol×K 1083.09 Joback Calculated Property

Similar Compounds

12-ethoxy-8 «alpha»,12-epoxy-13,14,15,16-tertanorlabdane. 13-ethoxy-8 «alpha»,13-epoxy-14,15,16-trinorlabdane. Neotigogenin. Tigogenin. Smilagenin. Sarsasapogenin. Gitogenin. 3-Ethoxy-8,8-dimethyl-2-oxa-bicyclo[4.2.0]octan-7-one. 5«beta»-Pregnan-3«alpha»,17«alpha»,20«beta»-triol, 17,20-acetonide. 17-Ethylenedioxy-3alpha,5-cyclo-5alpha-androstan-6beta-ol acetate. 3Alpha,5alpha-cycloandrostan-6beta-ol,17-ethylenedioxy. 10-Hydroxy-6,10-epoxy-7(14)-isodaucane. Cryptofauronol. 17-Ethylenedioxy-3alpha,5alpha-cycloandrostan-6-one. 1-O-(24-deoxycholyl)-«beta»-D-glucopyranose, TFA.

Find more compounds similar to 4,7-Methanobenzofuran, 2,2'-oxybis[octahydro-7,8,8-trimethyl-, [2«alpha»(2'R*,3'aS*,4'R*,7'R*,7'aS*),3a«alpha»,4«alpha»,7«alpha»,7a«alpha»]-.

Sources

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