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638-95-9

Basic Information
CAS No.: 638-95-9
Name: alpha-Amyrin
Article Data: 25
Molecular Structure:
Molecular Structure of 638-95-9 (alpha-Amyrin)
Formula: C30H50 O
Molecular Weight: 426.726
Synonyms: Urs-12-en-3b-ol (6CI,8CI); Viminalol (7CI); 3b-Hydroxyurs-12-ene; NSC 114787; a-Amirin; a-Amyrenol; a-Amyrin; a-Amyrine
EINECS: 211-352-1
Density: 0.9600 (rough estimate)
Melting Point: 188 C
Boiling Point: 243 C
Flash Point: 218.6oC
Solubility: SOLVENT < Soluble in ether, benzene, chloroform, glacial acetic acid
Appearance: white crystalline powder
Hazard Symbols: UN NO.
Transport Information: HAZARD
PSA: 20.23000
LogP: 8.02480
Synthetic route
863-76-3, 101915-52-0, 22395-84-2

urs-12-en-3β-yl acetate

638-95-9

α-amyrin

Conditions
ConditionsYield
With potassium hydroxide In methanol Reflux;99%
Stage #1: urs-12-en-3β-yl acetate With methanol; sodium methylate at 20℃; for 2h;
Stage #2:
92%
With methanol; sodium methylate at 20℃; for 2h;88%
With potassium hydroxide In methanol
With potassium hydroxide In ethanol for 3h; Deacetylation; Heating;

(3β)-3-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-urs-12-en

638-95-9

α-amyrin

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 14h; Reagent/catalyst; Solvent;94%
638-96-0

urs-12-en-3-one

555-31-7

aluminum isopropoxide

A

638-95-9

α-amyrin

B

5937-48-4

3α-hydroxyurs-12-ene

Conditions
ConditionsYield
With isopropyl alcohol
638-96-0

urs-12-en-3-one

A

638-95-9

α-amyrin

B

5937-48-4

3α-hydroxyurs-12-ene

Conditions
ConditionsYield
With nickel Hydrogenation;

3α-acetoxy-ursen-(12)-al-(24)-semicarbazone

141-52-6

sodium ethanolate

638-95-9

α-amyrin

Conditions
ConditionsYield
at 200℃;

3β-acetoxy-ursen-(12)-al-(28)-semicarbazone

141-52-6

sodium ethanolate

638-95-9

α-amyrin

Conditions
ConditionsYield
at 200℃;
638-96-0

urs-12-en-3-one

555-31-7

aluminum isopropoxide

67-63-0

isopropyl alcohol

A

638-95-9

α-amyrin

B

5937-48-4

3α-hydroxyurs-12-ene

22255-10-3

(3β)-urs-12-en-3-yl palmitate

A

36653-82-4

1-Hexadecanol

B

638-95-9

α-amyrin

Conditions
ConditionsYield
With lithium aluminium tetrahydride

α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-α-amyrin

638-95-9

α-amyrin

Conditions
ConditionsYield
With sulfuric acid In ethanol
fraction No3 of Canarium zeylanicum benzene extract

fraction No3 of Canarium zeylanicum benzene extract

638-95-9

α-amyrin

Conditions
ConditionsYield
With nitric acid; sodium chloride In pyridine at 0℃; for 0.2h;2.9 g
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    olecular Structure of alpha-Amyrin (CAS NO.638-95-9): IUPAC Name: (3S,4alphaR,6alphaR,6betaS,8alphaR,11R,12S,12alphaR,14alphaR,14betaR)-4,4,6alpha,6beta,8alpha,11,12,14beta-Octamethyl-2,3,4alpha,5,6,7,8,9,10,11,12,12alpha,14,14alpha-tetradecahyd

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Chemistry

Molecular Structure of alpha-Amyrin (CAS NO.638-95-9):

IUPAC Name: (3S,4alphaR,6alphaR,6betaS,8alphaR,11R,12S,12alphaR,14alphaR,14betaR)-4,4,6alpha,6beta,8alpha,11,12,14beta-Octamethyl-2,3,4alpha,5,6,7,8,9,10,11,12,12alpha,14,14alpha-tetradecahydro-1H-picen-3-ol 
Molecular Formula: C30H50O
Molecular Weight: 426.72
EINECS: 211-352-1 
Index of Refraction: 1.537
Molar Refractivity: 131.86 cm3
Molar Volume: 421.6 cm3
Surface Tension: 39.1 dyne/cm
Density: 1.01 g/cm3
Melting Point: 186 °C
Flash Point: 218.6 °C
Enthalpy of Vaporization: 87.66 kJ/mol
Boiling Point: 493.8 °C at 760 mmHg
Vapour Pressure: 8.06E-12 mmHg at 25 °C 
Product Categories: Tri-Terpenoids 
SMILES: O[C@H]2CC[C@@]1([C@@H]3[C@](CC[C@H]1C2(C)C)(C)[C@]5(C(=C/C3)\[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC5)C)C
InChI: InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1

Safety Profile

Safety Information of alpha-Amyrin (CAS NO.638-95-9):
Hazard Codes: IrritantXi

Specification

 alpha-Amyrin (CAS NO.638-95-9), its Synonyms are Viminalol ; alpha-Amyrenol ; alpha-Amyrine ; Urs-12-en-3-ol, (3beta)- (9CI) ; Urs-12-en-3beta-ol ;  3beta-Hydroxyurs-12-ene .