Chemical Properties of 5-Cyclo-5alpha-androstan-6beta-ol, 17-ethylenedioxy-3alpha, p-nitrobenzoate

5-Cyclo-5alpha-androstan-6beta-ol, 17-ethylenedioxy-3alpha, p-nitrobenzoate

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InChI
InChI=1S/C28H35NO6/c1-25-10-7-18-16-27(18,25)23(35-24(30)17-3-5-19(6-4-17)29(31)32)15-20-21(25)8-11-26(2)22(20)9-12-28(26)33-13-14-34-28/h3-6,18,20-23H,7-16H2,1-2H3
InChI Key
XXFZHDNVDLTTSI-UHFFFAOYSA-N
Formula
C28H35NO6
SMILES
CC12CCC3C(CC(OC(=O)c4ccc([N+](=O)[O-])cc4)C45CC4CCC35C)C1CCC21OCCO1
Molecular Weight1
481.58
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Physical Properties

Property Value Unit Source
Δf 200.16 kJ/mol Joback Calculated Property
Δfgas -497.49 kJ/mol Joback Calculated Property
Δfus 52.56 kJ/mol Joback Calculated Property
Δvap 110.09 kJ/mol Joback Calculated Property
log10WS -7.31 Crippen Calculated Property
logPoct/wat 5.516 Crippen Calculated Property
McVol 353.060 ml/mol McGowan Calculated Property
Pc 1463.49 kPa Joback Calculated Property
Tboil 1193.93 K Joback Calculated Property
Tc 1478.74 K Joback Calculated Property
Tfus 893.13 K Joback Calculated Property
Vc 1.351 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1627.54; 2329.48] J/mol×K [1193.93; 1478.74] Show Hide
Cp,gas 1627.54 J/mol×K 1193.93 Joback Calculated Property
Cp,gas 1712.91 J/mol×K 1241.40 Joback Calculated Property
Cp,gas 1809.32 J/mol×K 1288.87 Joback Calculated Property
Cp,gas 1917.98 J/mol×K 1336.33 Joback Calculated Property
Cp,gas 2040.09 J/mol×K 1383.80 Joback Calculated Property
Cp,gas 2176.86 J/mol×K 1431.27 Joback Calculated Property
Cp,gas 2329.48 J/mol×K 1478.74 Joback Calculated Property

Similar Compounds

Androst-5-ene-17,17-ethylenedioxy-3b-hydroxy-,p-nitrobenzoate. Bufotalin. N-Acetylnornarcotine. 12-O-Methylcarnosol. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. guanosine, TMS. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Hydrastine. guanosine-2'(3')-monophosphate, TMS. cis-1,2-Tetralinediol, ferrocenylboronate. Noscapine. Butorphanol di-TMS derivative.

Find more compounds similar to 5-Cyclo-5alpha-androstan-6beta-ol, 17-ethylenedioxy-3alpha, p-nitrobenzoate.

Sources

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