Urs-12-en-28-oic acid,2,3-dihydroxy-, (2b,3a)- (856012-03-8)

The (2beta,3alpha)-2,3-Dihydroxy-urs-12-en-28-oic acid with the CAS number 856012-03-8 is also called Urs-12-en-28-oic acid,2,3-dihydroxy-, (2β,3α)-. Its molecular formula is C₃₀H₄₈O₄. The product category is Pentacyclic Triterpenes. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (2beta,3alpha)-2,3-Dihydroxy-urs-12-en-28-oic acid are: (1)ACD/LogP: 7.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.93; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 66447.01; (6)ACD/BCF (pH 7.4): 1048.26; (7)ACD/KOC (pH 5.5): 54894; (8)ACD/KOC (pH 7.4): 866; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.76 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 135.03 cm³; (15)Molar Volume: 413.5 cm³; (16)Polarizability: 53.53×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Enthalpy of Vaporization: 98.68 kJ/mol; (19)Vapour Pressure: 1.56×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]1[C@@H]([C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@H]([C@]5(C)C)O)O)C)C)C)(CC1)C(=O)O)C
(2)InChI: InChI=1/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20+,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1
(3)InChIKey: HFGSQOYIOKBQOW-FEZPFBHMBV