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The Maslinic acid, with the CAS registry number 4373-41-5, is also known as (2alpha,3beta)-2,3-Dihydroxy-olean-12-en-28-oic acid. It belongs to the product categories of Pentacyclic Triterpenes; Miscellaneous. This chemical's molecular formula is C30H48O4 and molecular weight is 472.70. Its IUPAC name is called (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid. Maslinic acid is a compound derived from dry olive-pomace oil (an olive skin wax) which is a byproduct of olive oil extraction.
Physical properties of Maslinic acid: (1)ACD/LogP: 7.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 5.14; (5)ACD/BCF (pH 5.5): 67287.19; (6)ACD/BCF (pH 7.4): 1058.78; (7)ACD/KOC (pH 5.5): 54255.96; (8)ACD/KOC (pH 7.4): 853.73; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 135.08 cm3; (14)Molar Volume: 412.7 cm3; (15)Surface Tension: 48.9 dyne/cm; (16)Density: 1.14 g/cm3; (17)Flash Point: 312.6 °C; (18)Enthalpy of Vaporization: 98.21 kJ/mol; (19)Boiling Point: 570 °C at 760 mmHg; (20)Vapour Pressure: 2.3E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@]54[C@H](/C3=C/C[C@H]1[C@](CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H](O)C2(C)C)(C)[C@]3(C)CC4)CC(C)(C)CC5
(2)InChI: InChI=1/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
(3)InChIKey: MDZKJHQSJHYOHJ-LLICELPBBZ