CAS No.471-66-9,ALPHA-BOSWELLIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	471-66-9
Name:	ALPHA-BOSWELLIC ACID

Formula:	C₃₀H₄₈O₃
Molecular Weight:	456.709
Synonyms:	Olean-12-en-24-oicacid, 3a-hydroxy- (8CI);a-Boswellic acid (6CI);3a-Acetyl-a-boswellic acid;
Density:	1.1g/cm³
Melting Point:	289℃
Boiling Point:	552.7 °C at 760 mmHg
Flash Point:	302.1 °C
PSA:	57.53000
LogP:	7.23360

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Specification

The alpha-Boswellic acid with the cas number 471-66-9 is also called Olean-12-en-23-oicacid, 3-hydroxy-, (3a,4b)-. The systematic name is (3alpha)-3-hydroxyolean-12-en-24-oic acid. Its molecular formula is C₃₀H₄₈O₃. The product category is Miscellaneous Natural Products.

The properties of the chemical are: (1)ACD/LogP: 9.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.21; (4)ACD/LogD (pH 7.4): 6.42; (5)ACD/BCF (pH 5.5): 519548.09; (6)ACD/BCF (pH 7.4): 8461.19; (7)ACD/KOC (pH 5.5): 193481.83; (8)ACD/KOC (pH 7.4): 3150.98; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 133.57 cm³; (15)Molar Volume: 414.9 cm³; (16)Polarizability: 52.95×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Enthalpy of Vaporization: 95.78 kJ/mol; (19)Vapour Pressure: 1.62E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@]4(C)[C@H](O)CC[C@@]5([C@@H]1[C@@]([C@]2(\C(=C/C1)[C@H]3[C@](CC2)(C)CCC(C)(C)C3)C)(C)CC[C@@H]45)C
(2)InChI: InChI=1/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1
(3)InChIKey: BZXULBWGROURAF-IKNLXHIFBL