Chemical Properties of Stigmasta-7,22-dien-3-ol, acetate, (3«beta»,5«alpha»,22E)- (CAS 4651-46-1)

Stigmasta-7,22-dien-3-ol, acetate, (3«beta»,5«alpha»,22E)-

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InChI
InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,12,20-21,23-25,27-29H,8,11,13-19H2,1-7H3/b10-9+/t21-,23+,24+,25+,27-,28+,29+,30+,31-/m0/s1
InChI Key
VQLULFBGTFJDEB-KPZAYUPNSA-N
Formula
C31H50O2
SMILES
CCC(C=CC(C)C1CCC2C3=CCC4CC(OC(C)=O)CCC4(C)C3CCC21C)C(C)C
Molecular Weight1
454.73
CAS
4651-46-1
Other Names
  • 5«alpha»-Stigmasta-7,22-dien-3«beta»-ol, acetate
  • «alpha»-Spinasterol acetate
  • «alpha»-Spinosterol acetate
  • Spinasteryl acetate
  • Spinasterol acetate
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Physical Properties

Property Value Unit Source
Δf 217.84 kJ/mol Joback Calculated Property
Δfgas -550.42 kJ/mol Joback Calculated Property
Δfus 41.96 kJ/mol Joback Calculated Property
Δvap 90.79 kJ/mol Joback Calculated Property
log10WS -8.88 Crippen Calculated Property
logPoct/wat 8.372 Crippen Calculated Property
McVol 403.050 ml/mol McGowan Calculated Property
Pc 857.47 kPa Joback Calculated Property
Inp 3353.00 NIST
Tboil 1026.73 K Joback Calculated Property
Tc 1263.18 K Joback Calculated Property
Tfus 563.73 K Joback Calculated Property
Vc 1.524 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1549.13; 1787.79] J/mol×K [1026.73; 1263.18] Show Hide
Cp,gas 1549.13 J/mol×K 1026.73 Joback Calculated Property
Cp,gas 1584.84 J/mol×K 1066.14 Joback Calculated Property
Cp,gas 1621.65 J/mol×K 1105.55 Joback Calculated Property
Cp,gas 1659.95 J/mol×K 1144.96 Joback Calculated Property
Cp,gas 1700.14 J/mol×K 1184.37 Joback Calculated Property
Cp,gas 1742.62 J/mol×K 1223.77 Joback Calculated Property
Cp,gas 1787.79 J/mol×K 1263.18 Joback Calculated Property

Similar Compounds

Ergosta-7,22-dien-3-ol, acetate, (3«beta»,5«alpha»)-. 27-Nor-7,22-ergostadienol (E) acetate. 23,24-Dimethyl-7,22-cholestadienol acetate. Chondrillasterol acetate. 22-Stigmastenol acetate. Stigmast-7-en-3-ol, acetate, (3«beta»,5«alpha»)-. Cholest-7-en-3-ol, acetate, (3«beta»)-. 7,24(28)-Ergostadienol acetate. Peposterol (7,24-Stigmastadienol) acetate. 7,25-Sigmastadienol acetate. 28-Isoavenasterol acetate. Avenasterol acetate. (22E)-3«alpha»-Ergosta-14,22-dien-5«beta»-ol, acetate. 24-Ethyllophenol acetate, 24-«alpha». 24-Ethyllophenol acetate, 24-«beta».

Find more compounds similar to Stigmasta-7,22-dien-3-ol, acetate, (3«beta»,5«alpha»,22E)-.

Sources

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