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

Solasodine

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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
ΔfG° 286.34 kJ/mol Joback Calculated Property
ΔfH°gas -463.02 kJ/mol Joback Calculated Property
ΔfusH° 48.75 kJ/mol Joback Calculated Property
ΔvapH° 100.28 kJ/mol Joback Calculated Property
log10WS -6.78 Crippen Calculated Property
logPoct/wat 5.287 Crippen Calculated Property
McVol 343.550 ml/mol McGowan Calculated Property
Pc 1316.56 kPa Joback Calculated Property
Inp 3338.00 NIST
Tboil 1036.68 K Joback Calculated Property
Tc 1283.82 K Joback Calculated Property
Tfus 733.25 K Joback Calculated Property
Vc 1.286 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1429.80; 1744.46] J/mol×K [1036.68; 1283.82] Show Hide
Cp,gas 1429.80 J/mol×K 1036.68 Joback Calculated Property
Cp,gas 1472.83 J/mol×K 1077.87 Joback Calculated Property
Cp,gas 1518.85 J/mol×K 1119.06 Joback Calculated Property
Cp,gas 1568.43 J/mol×K 1160.25 Joback Calculated Property
Cp,gas 1622.17 J/mol×K 1201.44 Joback Calculated Property
Cp,gas 1680.66 J/mol×K 1242.63 Joback Calculated Property
Cp,gas 1744.46 J/mol×K 1283.82 Joback Calculated Property

Similar Compounds

Benazepril Me. Butanoic acid, 2-(1-methylethyl)-2,3-bis[(trimethylsilyl)oxy]-, [2,3,5,7a-tetrahydro-1-[(trimethylsilyl)oxy]-1H-pyrrolizin-7-yl]methy l ester, [1R-[1«alpha»,7(2R*,3S*),7a«beta»]]-. Ethylmorphine, trimethylsilyl ether. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

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Sources

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