Chemical Properties of Solasodine (CAS 126-17-0)

Solasodine

InChI
InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19-,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1
InChI Key
KWVISVAMQJWJSZ-ICPPQKBESA-N
Formula
C27H43NO2
SMILES
CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C
Molecular Weight1
413.64
CAS
126-17-0
Other Names
  • Spirosol-5-en-3-ol, (3«beta»,22«alpha»,25R)-
  • Solasod-5-en-3«beta»-ol
  • Purapuridine
  • Salasdine
  • Salasodine
  • Solancarpidine
  • Solanidine-S
  • Solasodin
  • Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-piperidine], spirosol-5-en-3-ol deriv.
  • NSC 178260
  • NSC 179187
  • Solasod-5-en-3-beta-ol
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Physical Properties

Property Value Unit Source
ΔfusH° 48.75 kJ/mol Joback Calculated Property
ΔvapH° 157.36 kJ/mol Relay (1.0) Calculated Property
log10WS -5.44 Relay (1.0) Calculated Property
logPoct/wat 5.287 Crippen Calculated Property
McVol 343.550 ml/mol McGowan Calculated Property
Inp 3338.00 NIST
Tboil 715.38 K Relay (1.0) Calculated Property
Tfus 486.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [445.94; 1393.52] 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-4.17620e+02
Coefficient B4.05238e+00
Coefficient C-3.63834e-03
Coefficient D1.39710e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 445.94 J/mol×K 273.00 Calculated Property
Cp,gas 622.51 J/mol×K 353.78 Calculated Property
Cp,gas 770.95 J/mol×K 434.56 Calculated Property
Cp,gas 895.68 J/mol×K 515.33 Calculated Property
Cp,gas 1001.11 J/mol×K 596.11 Calculated Property
Cp,gas 1091.67 J/mol×K 676.89 Calculated Property
Cp,gas 1171.77 J/mol×K 757.67 Calculated Property
Cp,gas 1245.84 J/mol×K 838.44 Calculated Property
Cp,gas 1318.28 J/mol×K 919.22 Calculated Property
Cp,gas 1393.52 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benazepril Me. INDICINE PERTRIMETHYLSILYL ETHER. Benzylmorphine. Nicocodine. BUPRENORPHINE. Guanosine, N-trimethylsilyl-, 2',3',5'-tris(trimethylsilyl) ether. QUINIDINE, M(HO-), AC. Deserpidine. OXYCOLCHICINE. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. CODEIN-PROPIONYL. PACLITAXEL. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). DIHYDROERGOKRYPTINE.

Find more compounds similar to Solasodine.

Sources

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