Urs-12-en-23-oic acid,3-hydroxy-, (3a,4b)- (631-69-6)

The beta-Boswellic Acid with its cas register number is 631-69-6. It also can be called as Urs-12-en-23-oic acid,3-hydroxy-, (3a,4b)- and the Systematic name about this chemical is (3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid. It belongs to the following product categories, such as Miscellaneous Natural Products, Steroids and so on.

Physical properties about beta-Boswellic Acid are: (1)ACD/LogP: 9.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 6.37; (5)ACD/BCF (pH 5.5): 477172.78; (6)ACD/BCF (pH 7.4): 7770.82; (7)ACD/KOC (pH 5.5): 182063.91; (8)ACD/KOC (pH 7.4): 2964.93; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.53Ų; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 133.52 cm³; (15)Molar Volume: 415.7 cm³; (16)Polarizability: 52.93x10^-24cm³; (17)Surface Tension: 44.9 dyne/cm; (18)Enthalpy of Vaporization: 96.25 kJ/mol; (19)Vapour Pressure: 1.11E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@]4(C)[C@H](O)CC[C@]3(C)C5C\C=C1/[C@@](C)(CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]12)[C@]5(C)CC[C@H]34
(2)InChI: InChI=1/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
(3)InChIKey: NBGQZFQREPIKMG-QYKAKFGWBR ; (4)Std. InChI: InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
(5)Std. InChIKey: NBGQZFQREPIKMG-QYKAKFGWSA-N