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559-70-6

Basic Information
CAS No.: 559-70-6
Name: beta-Amyrin
Article Data: 33
Molecular Structure:
Molecular Structure of 559-70-6 (beta-Amyrin)
Formula: C30H50O
Molecular Weight: 426.726
Synonyms: Olean-12-en-3b-ol (6CI,8CI);(+)-b-Amyrin;3b-Hydroxyolean-12-ene;NSC 527971;b-Amirin;b-Amyrenol;b-Amyrin;b-Amyrine;
EINECS: 209-204-6
Density: 1.014 g/cm3
Melting Point: 187-190 °C
Boiling Point: 490.669 °C at 760 mmHg
Flash Point: 217.7°C
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 22
Safety: 22-45
PSA: 20.23000
LogP: 8.16890
Synthetic route
129511-76-8

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

559-70-6

beta-amyrin

Conditions
ConditionsYield
With zinc In acetic acid at 20 - 40℃; for 4h; Reagent/catalyst; Solvent;97%
With tetrabutyl ammonium fluoride In tetrahydrofuran at 55℃; for 12h;95%
559-70-6

beta-amyrin

Conditions
ConditionsYield
With ethylenediamine In methanol for 0.0666667h; Microwave irradiation;94%
With potassium hydroxide In methanol
With potassium hydroxide In ethanol for 1h;
With potassium hydroxide In methanol Reflux;
Conditions
ConditionsYield
With lithium; ethylenediamine for 2h; Heating;85%
195156-15-1

(3S,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-Hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-4-carbaldehyde

559-70-6

beta-amyrin

Conditions
ConditionsYield
Stage #1: (3S,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-3-Hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-4-carbaldehyde With hydrazine hydrate In ethanol; diethylene glycol for 1h; Heating; Huang-Minlon reduction;
Stage #2: With potassium hydroxide for 2h; Heating;
77%

A

559-70-6

beta-amyrin

B

6811-63-8

3α-hydroxyolean-12-ene

Conditions
ConditionsYield
With potassium hydroxide In diethylene glycol for 2h; Heating;A 50%
B 15%
79542-23-7

Imidazole-1-carbothioic acid O-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picen-4a-ylmethyl) ester

559-70-6

beta-amyrin

Conditions
ConditionsYield
With tri-n-butyl-tin hydride In xylene at 130℃; for 10h;40%
5973-06-8

β-amyrin palmitate

A

559-70-6

beta-amyrin

B

57-10-3

1-hexadecylcarboxylic acid

Conditions
ConditionsYield
bei der Verseifung; β-amyrin palmitate (balanophorin);

3α-acetoxy-oleanen-(12)-al-(24)-hydrazone

A

559-70-6

beta-amyrin

B

6811-63-8

3α-hydroxyolean-12-ene

Conditions
ConditionsYield
With ethanol; sodium ethanolate; hydrazine hydrate at 200℃;

3β-acetoxy-oleanen-(12)-al-(30)-semicarbazone

141-52-6

sodium ethanolate

A

559-70-6

beta-amyrin

B

6813-59-8

11-hydroxymethyl-4,4a,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydropicen-3-ol

Conditions
ConditionsYield
at 200℃;

3β-acetoxy-oleanen-(12)-al-(30)-semicarbazone

A

559-70-6

beta-amyrin

B

6813-59-8

11-hydroxymethyl-4,4a,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydropicen-3-ol

Conditions
ConditionsYield
With ethanol; sodium at 200℃;
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    CAS Number: 559-70-6 Molecular Formula: C30H50O Molecular Weight: 426.72 EINECS number: 209-204-6 Related Categories: Tri-Terpenoids; Plant Extracts; Building Blocks; Standards Mol file: 559-70-6.

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Specification

The beta-Amyrin, with the cas registry number 559-70-6, is also known as NSC 527971 and Olean-12-en-3beta-ol. It belongs to the product categories of Tri-Terpenoids. Its EINECS number is 209-204-6. This chemical's molecular formula is C30H50O and formula weight is 426.72. What's more, its systematic name is called (3β)-Olean-12-en-3-ol. This chemical is white crystalline powder.

Physical properties about this chemical are: (1)ACD/LogP: 10.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.481; (4)ACD/LogD (pH 7.4): 10.481; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 131.922 cm3; (15)Molar Volume: 420.836 cm3; (16)Surface Tension: 39.479 dyne/cm; (17)Density: 1.014 g/cm3; (18)Flash Point: 217.667 °C; (19)Enthalpy of Vaporization: 87.236 kJ/mol; (20)Boiling Point: 490.669 °C at 760 mmHg; (21)Melting Point: 187-190 °C; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. Besides, it is harmful if swallowed. You should not breathe its dust. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C
(2)InChI: InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1
(3)InChIKey: JFSHUTJDVKUMTJ-QHPUVITPBE