Olean-12-en-3-ol, (3b)- (559-70-6)

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