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CAS No.: | 34157-83-0 |
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Name: | Celastrol |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C29H38O4 |
Molecular Weight: | 450.618 |
Synonyms: | 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oicacid, 3-hydroxy-2-oxo- (7CI,8CI);D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20a)-;2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-,(2R,4aS,6aS,12bR,14aS,14bR)-;2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-,[2R-(2a,4ab,6ab,12bb,14aa,14bb)]-;Tripterin; |
EINECS: | 636-472-5 |
Density: | 1.2 g/cm3 |
Melting Point: | 185-200oC |
Boiling Point: | 645.7 °C at 760 mmHg |
Flash Point: | 358.3 °C |
Appearance: | red crystalline powder |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45-24/25 |
PSA: | 74.60000 |
LogP: | 6.69770 |
Conditions | Yield |
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In aq. phosphate buffer; dimethyl sulfoxide Equilibrium constant; |
Conditions | Yield |
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In aq. phosphate buffer; dimethyl sulfoxide Equilibrium constant; |
celastrol
Conditions | Yield |
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With sodium tetrahydroborate In methanol at 20℃; | 100% |
With sodium tetrahydroborate In d(4)-methanol at 20℃; for 0.5h; | 99% |
With sodium tetrahydroborate In d(4)-methanol at 20℃; for 0.5h; | 99% |
7-methyl-1H-indole
celastrol
Conditions | Yield |
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With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Friedel-Crafts Alkylation; Sealed tube; | 99% |
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h; Friedel-Crafts Alkylation; |
celastrol
5-methyl-1H-indole
Conditions | Yield |
---|---|
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Friedel-Crafts Alkylation; Sealed tube; | 99% |
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h; Friedel-Crafts Alkylation; |
6-methylindole
celastrol
Conditions | Yield |
---|---|
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Friedel-Crafts Alkylation; Sealed tube; | 99% |
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h; Friedel-Crafts Alkylation; |
celastrol
(2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4-a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxamide
Conditions | Yield |
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With ammonium chloride; N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; | 98% |
With O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; ammonium chloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; | 91% |
indole
celastrol
Conditions | Yield |
---|---|
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Reagent/catalyst; Solvent; Friedel-Crafts Alkylation; Sealed tube; | 97% |
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h; | 78% |
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h; Friedel-Crafts Alkylation; | |
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 5h; | 122.2 mg |
6-chloroindole
celastrol
Conditions | Yield |
---|---|
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Friedel-Crafts Alkylation; Sealed tube; | 97% |
With scandium tris(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h; Friedel-Crafts Alkylation; |
4-methoxy-1H-indole
celastrol
Conditions | Yield |
---|---|
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Friedel-Crafts Alkylation; Sealed tube; | 97% |
IUPAC Name: (2R,4aS,6aS,6aR,14aS,14bR)-10-Hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Empirical Formula: C29H38O4
Molecular Weight: 450.6096
Freely Rotating Bonds: 2
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.602
Molar Refractivity: 127.93 cm3
Molar Volume: 372.7 cm3
Polarizability: 50.71× 10-24 cm3
Surface Tension: 51.7 dyne/cm
Density: 1.2 g/cm3
Flash Point: 358.3 °C
Enthalpy of Vaporization: 109.09 kJ/mol
Boiling Point: 645.7 °C at 760 mmHg
Vapour Pressure: 2.14E-19 mmHg at 25°C
The Cas Register Number of Tripterine is 34157-83-0.The chemical synonyms of Tripterine are D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, (20alpha)- .The molecular structure of Tripterine (CAS NO.34157-83-0) is
.
Tripterine (CAS NO.34157-83-0) is used as organic intermediate.