| Identification | |
| Name: | Betulonic acid |
| Synonyms: | Lup-20(29)-en-28-oic acid,3-oxo-;(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid;Liquidambronic acid;Lup-20(29)-en-28-oic acid, 3-oxo-;3-Oxolup-20(29)-en-28-oic acid;3-Deoxy-3-oxo-betulinic acid;Liquidambaric acid; |
| CAS: | 4481-62-3 |
| Molecular Formula: | C30H46O3 |
| Molecular Weight: | 454.6844 |
| InChI: | InChI=1/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 299.4°C |
| Boiling Point: | 548.1°Cat760mmHg |
| Density: | 1.061g/cm3 |
| Refractive index: | 1.527 |
| Specification: |
The Betulonic acid, with the cas registry number 4481-62-3, has the systematic name of 3-oxolup-20(29)-en-28-oic acid. And the molecular formula of the chemical is C30H46O3. The characteristics of this chemical are as followings: (1)ACD/LogP: 8.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.43; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 154460.86; (6)ACD/BCF (pH 7.4): 2428.9; (7)ACD/KOC (pH 5.5): 97559.86; (8)ACD/KOC (pH 7.4): 1534.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 131.71 cm3; (15)Molar Volume: 428.3 cm3; (16)Polarizability: 52.21×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.061 g/cm3; (19)Flash Point: 299.4 °C; (20)Enthalpy of Vaporization: 90.5 kJ/mol; (21)Boiling Point: 548.1 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-13 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Flash Point: | 299.4°C |
| Safety Data | |
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