CAS No.5968-70-7,3-ACETYL-BETA-BOSWELLIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5968-70-7
Name:	3-ACETYL-BETA-BOSWELLIC ACID
Article Data:	12

Formula:	C₃₂H₅₀O₄
Molecular Weight:	498.747
Synonyms:	Urs-12-en-24-oicacid, 3α-hydroxy-, acetate (6CI,8CI);3α-Acetoxyurs-12-en-24-oic acid;3α-Acetyl-β-boswellic acid;Acetyl-β-boswellic acid;β-Boswellic acid acetate;
Density:	1.09 g/cm³
Melting Point:	157-161℃
Boiling Point:	566.8 °C at 760 mmHg
Flash Point:	171.4 °C
PSA:	63.60000
LogP:	7.66030

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Specification

The 3-Acetyl-β-boswellic acid, with the CAS registry number of 5968-70-7, is also known as 3α-Acetyl-β-boswellic acid and β-Boswellic acid acetate. It belongs to the product category of Miscellaneous Natural Products. This chemical's molecular formula is C₃₂H₅₀O₄ and molecular weight is 498.74. What's more, its systematic name is called (3alpha)-3-(Acetyloxy)urs-12-en-24-oic acid.

Physical properties about 3-Acetyl-β-boswellic acid are: (1)ACD/LogP: 10.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.07; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 38387.04; (7)ACD/KOC (pH 5.5): 578406; (8)ACD/KOC (pH 7.4): 9380.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 143.1 cm³; (15)Molar Volume: 453.4 cm³; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.09 g/cm³; (18)Flash Point: 171.4 °C; (19)Enthalpy of Vaporization: 93.01 kJ/mol; (20)Boiling Point: 566.8 °C at 760 mmHg; (21)Vapour Pressure: 2.51E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@]1(C)[C@H](OC(=O)C)CC[C@@]3(C)[C@H]1CC[C@]2([C@]5(/C(=C\C[C@@H]23)[C@@H]4[C@H]([C@@H](CC[C@]4(C)CC5)C)C)C)C
(2) InChI: InChI=1/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1
(3) InChIKey: YJBVHJIKNLBFDX-MQURJEHKBE