Chemical Properties of (+)«beta»-Desmotroposantonin acetate (CAS 14794-69-5)

(+)«beta»-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
14794-69-5
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Physical Properties

Property Value Unit Source
ω 0.6724 Relay (1.0) Calculated Property
ΔcH°solid -8668.70 ± 1.80 kJ/mol NIST
ΔfG° -174.79 kJ/mol Joback Calculated Property
ΔfH°gas -696.36 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid -879.30 ± 1.80 kJ/mol NIST
ΔfusH° 37.79 kJ/mol Joback Calculated Property
ΔvapH° 105.16 kJ/mol Relay (1.0) Calculated Property
IE 8.18 eV Relay (1.0) Calculated Property
log10WS -3.68 Relay (1.0) Calculated Property
logPoct/wat 3.025 Crippen Calculated Property
McVol 219.790 ml/mol McGowan Calculated Property
Pc 1966.56 kPa Joback Calculated Property
Tboil 640.91 K Relay (1.0) Calculated Property
Tc 893.69 K Relay (1.0) Calculated Property
Tfus 413.42 K Relay (1.0) Calculated Property
Vc 0.806 m3/kmol Relay (1.0) Calculated Property

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

(-)«alpha»-Desmotroposantonin acetate. (+)«beta»-Desmotroposantonin methyl ether. Nalmefene, bis(trifluoroacetate). «delta»1-tetrahydrocannabinolic acid, phenyl-boronate. 11-Hydroxy-«DELTA»9-tetrahydrocannabinol. Methysergide. Heptafluorobutyryl-codeine. 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.

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

Sources

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