Olean-12-en-28-oicacid, 2,3-dihydroxy-, (2a,3a)- supplier

Name
(2α,3α)-2,3-Dihydroxy-olean-12-en-28-oic acid
EINECS
CAS No. 26563-68-8
Article Data16
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point 295-297 °C
Formula C₃₀H₄₈O₄
Boiling Point 570 °C at 760 mmHg
Molecular Weight 472.709
Flash Point 312.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Olean-12-en-28-oicacid, 2a,3a-dihydroxy- (7CI,8CI);2a,3a-Dihydroxyolean-12-en-28-oic acid;3-Epimaslinic acid;3-epi-Maslinic acid;(2a,3a,5ξ,18a)-2,3-Dihydroxyolean-12-en-28-oic acid;
PSA 77.76000
LogP 6.20440

Olean-12-en-28-oicacid, 2,3-dihydroxy-, (2a,3a)- Specification

The Olean-12-en-28-oicacid, 2,3-dihydroxy-, (2a,3a)-, with the CAS registry number 26563-68-8, is also known as 2a,3a-Dihydroxyolean-12-en-28-oic acid. This chemical's molecular formula is C₃₀H₄₈O₄ and molecular weight is 472.70. What's more, its systematic name is (2a,3a,5ξ,18a)-2,3-Dihydroxyolean-12-en-28-oic acid and it belongs to the product category of Pentacyclic Triterpenes.

Physical properties of Olean-12-en-28-oicacid, 2,3-dihydroxy-, (2a,3a)- are: (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)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 135.08 cm³; (15)Molar Volume: 412.7 cm³; (16)Polarizability: 53.55×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 312.6 °C; (20)Enthalpy of Vaporization: 98.21 kJ/mol; (21)Boiling Point: 570 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)O)C
(2)InChI: InChI=1S/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+/m1/s1
(3)InChIKey: MDZKJHQSJHYOHJ-LJJNEPIXSA-N

Product Name

(2α,3α)-2,3-Dihydroxy-olean-12-en-28-oic acid

Olean-12-en-28-oicacid, 2,3-dihydroxy-, (2a,3a)- Specification

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