Epibetulinic acid supplier | CasNO.38736-77-5

Name
Epibetulinic acid
EINECS
CAS No. 38736-77-5
Article Data6
CAS DataBase
Density 1.065 g/cm³
Solubility
Melting Point 277℃
Formula C₃₀H₄₈O₃
Boiling Point 550 °C at 760 mmHg
Molecular Weight 456.709
Flash Point 300.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-epi-Betulinic acid;3α-Hydroxylup-20(29)-en-28-oic acid;
PSA 57.53000
LogP 7.08950

Epibetulinic acid Specification

This chemical is called Epibetulinic acid, and its systematic name is (3α)-3-hydroxylup-20(29)-en-28-oic acid. With the molecular formula of C₃₀H₄₈O₃, its molecular weight is 456.71. The CAS registry number of this chemical is 38736-77-5.

Other characteristics of the Epibetulinic acid can be summarised as followings: (1)ACD/LogP: 8.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 421415.56; (6)ACD/BCF (pH 7.4): 6625.68; (7)ACD/KOC (pH 5.5): 199612.22; (8)ACD/KOC (pH 7.4): 3138.39; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 133.17 cm³; (15)Molar Volume: 428.7 cm³; (16)Polarizability: 52.79×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.065 g/cm³; (19)Flash Point: 300.5 °C; (20)Enthalpy of Vaporization: 95.41 kJ/mol; (21)Boiling Point: 550 °C at 760 mmHg; (22)Vapour Pressure: 2.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5
2.InChI: InChI=1/C30H48O3/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/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1
3.InChIKey: QGJZLNKBHJESQX-ULZDWRHHBS

Product Name

Epibetulinic acid

Epibetulinic acid Specification

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