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CAS No.: | 559-70-6 |
---|---|
Name: | beta-Amyrin |
Article Data: | 33 |
Molecular Structure: | |
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: | Xi |
Risk Codes: | 22 |
Safety: | 22-45 |
PSA: | 20.23000 |
LogP: | 8.16890 |
(3β)-3-{[(1,1-dimethylethyl)dimethylsilyl]oxy}-olean-12-en
beta-amyrin
Conditions | Yield |
---|---|
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% |
β-amyrin acetate
beta-amyrin
Conditions | Yield |
---|---|
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; |
β-amyrone
beta-amyrin
Conditions | Yield |
---|---|
With lithium; ethylenediamine for 2h; Heating; | 85% |
(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
beta-amyrin
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With potassium hydroxide In diethylene glycol for 2h; Heating; | A 50% B 15% |
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
beta-amyrin
Conditions | Yield |
---|---|
With tri-n-butyl-tin hydride In xylene at 130℃; for 10h; | 40% |
Conditions | Yield |
---|---|
bei der Verseifung; β-amyrin palmitate (balanophorin); |
Conditions | Yield |
---|---|
With ethanol; sodium ethanolate; hydrazine hydrate at 200℃; |
sodium ethanolate
A
beta-amyrin
B
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 | Yield |
---|---|
at 200℃; |
A
beta-amyrin
B
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 | Yield |
---|---|
With ethanol; sodium at 200℃; |
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