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Cas Database

Name	Celastrol	EINECS	636-472-5
CAS No.	34157-83-0	Density	1.2 g/cm³
PSA	74.60000	LogP	6.69770
Solubility	N/A	Melting Point	185-200oC
Formula	C₂₉H₃₈O₄	Boiling Point	645.7 °C at 760 mmHg
Molecular Weight	450.618	Flash Point	358.3 °C
Transport Information	N/A	Appearance	red crystalline powder
Safety	45-24/25	Risk Codes	25
Molecular Structure		Hazard Symbols	T
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;	Article Data	1

Celastrol Synthetic route

: C39H55N3O10S

A: 70-18-8
GLUTATHIONE

B: 34157-83-0
celastrol

Conditions

Conditions	Yield
In aq. phosphate buffer; dimethyl sulfoxide Equilibrium constant;

: C31H44O5S

A: 34157-83-0
celastrol

B: 60-24-2
2-hydroxyethanethiol

Conditions

Conditions	Yield
In aq. phosphate buffer; dimethyl sulfoxide Equilibrium constant;

: 34157-83-0
celastrol

: Dihydrocelastrol

Conditions

Conditions	Yield
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%

: 933-67-5
7-methyl-1H-indole

: 34157-83-0
celastrol

: (2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-8-(7-methyl-1H-indol-3-yl)-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Conditions

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;

: 34157-83-0
celastrol

: 614-96-0
5-methyl-1H-indole

: (2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-8-(5-methyl-1H-indol-3-yl)-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Conditions

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;

: 3420-02-8
6-methylindole

: 34157-83-0
celastrol

: (2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-8-(6-methyl-1H-indol-3-yl)-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Conditions

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;

: 34157-83-0
celastrol

: 1361057-85-3
(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

Conditions	Yield
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%

: 120-72-9
indole

: 34157-83-0
celastrol

: (2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-8-(1H-indol-3-yl)-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Conditions

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

: 17422-33-2
6-chloroindole

: 34157-83-0
celastrol

: (2R,4aS,6aS,12bR,14aS,14bR)-8-(6-chloro-1H-indol-3-yl)-10,11-dihydroxy-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Conditions

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;

: 4837-90-5
4-methoxy-1H-indole

: 34157-83-0
celastrol

: (2R,4aS,6aS,12bR,14aS,14bR)-10,11-dihydroxy-8-(4-methoxy-1H-indol-3-yl)-2,4a,6a,9,12b,14a-hexamethyl-1,2,3,4,4a,5,6,6a,8,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid

Conditions

Conditions	Yield
With aluminium(III) chloride hexahydrate In dichloromethane at 20℃; for 3h; Friedel-Crafts Alkylation; Sealed tube;	97%

Celastrol Chemical Properties

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^-24cm³
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
.

Celastrol Uses

Tripterine (CAS NO.34157-83-0) is used as organic intermediate.

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