Asiatic acid

The Asiatic acid, with the CAS registry number 464-92-6, is also known as Urs-12-en-28-oic acid,2,3,23-trihydroxy-, (2α,3β,4α)-. It belongs to the product categories of Pentacyclic Triterpenes; Steroids; The group of Asiaticoside; C13 to C42+; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C₃₀H₄₈O₅ and molecular weight is 488.70. What's more, its systematic name is (2α,3β)-2,3,23-Trihydroxyurs-12-en-28-oic acid. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is triterpene acid.

Physical properties of Asiatic acid are: (1)ACD/LogP: 5.748; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.85; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 1740.23; (6)ACD/BCF (pH 7.4): 27.44; (7)ACD/KOC (pH 5.5): 4037.06; (8)ACD/KOC (pH 7.4): 63.66; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 97.99 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 136.571 cm³; (15)Molar Volume: 410.816 cm³; (16)Polarizability: 54.141×10^-24cm³; (17)Surface Tension: 53.05 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 336.403 °C; (20)Enthalpy of Vaporization: 103.832 kJ/mol; (21)Boiling Point: 609.446 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Asiatic acid: it can be used to produce 2a,3b,23-trihydroxy-urs-12-en-28-oic acid methyl ester at the temperature of 0 °C. The reaction time is 1 hour. The yield is about 100%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@]54[C@H](/C3=C/C[C@@H]2[C@]1(C[C@@H](O)[C@H](O)[C@@]([C@@H]1CC[C@@]2(C)[C@]3(C)CC4)(C)CO)C)[C@@H](C)[C@H](C)CC5
(2)Std. InChI: InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
(3)Std. InChIKey: JXSVIVRDWWRQRT-UYDOISQJSA-N