Chemical Properties of (-)«alpha»-Desmotroposantonin acetate (CAS 14794-71-9)

(-)«alpha»-Desmotroposantonin acetate

InChI
InChI=1S/C17H20O4/c1-8-7-14(20-11(4)18)10(3)15-12(8)5-6-13-9(2)17(19)21-16(13)15/h7,9,13,16H,5-6H2,1-4H3
InChI Key
ZWPKGSNVVQTUMS-UHFFFAOYSA-N
Formula
C17H20O4
SMILES
CC(=O)Oc1cc(C)c2c(c1C)C1OC(=O)C(C)C1CC2
Molecular Weight1
288.34
CAS
14794-71-9
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Physical Properties

Property Value Unit Source
ΔcH°solid -8677.40 ± 2.70 kJ/mol NIST
ΔfH°solid -870.60 ± 2.70 kJ/mol NIST
ΔfusH° 37.79 kJ/mol Joback Calculated Property
logPoct/wat 3.025 Crippen Calculated Property
McVol 219.790 ml/mol McGowan Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [693.64; 774.01] J/mol×K [819.10; 1052.72] Show Hide
Cp,gas 693.64 J/mol×K 819.10 Joback Calculated Property
Cp,gas 710.21 J/mol×K 858.04 Joback Calculated Property
Cp,gas 725.48 J/mol×K 896.97 Joback Calculated Property
Cp,gas 739.46 J/mol×K 935.91 Joback Calculated Property
Cp,gas 752.20 J/mol×K 974.85 Joback Calculated Property
Cp,gas 763.71 J/mol×K 1013.79 Joback Calculated Property
Cp,gas 774.01 J/mol×K 1052.72 Joback Calculated Property

Similar Compounds

(+)«beta»-Desmotroposantonin acetate. (+)«beta»-Desmotroposantonin methyl ether. Nalmefene, bis(trifluoroacetate). .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Acetylsenecivernine. (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine. QUINIDINE, M(HO-), AC. Nicocodine. Pholcodine. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Hydromorphone, trimethylsilyl ether. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. PACLITAXEL. DIHYDROERGOTAMINE.

Find more compounds similar to (-)«alpha»-Desmotroposantonin acetate.

Sources

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