(3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid supplier

Name
(3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid
EINECS
CAS No. 892869-42-0
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C39H53 Cl O4
Boiling Point
Molecular Weight 621.3
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid;Olean-12-en-28-oic acid, 3-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propenyl]oxy]-, (3β)- (9CI);(3β)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]- olean-12-en-28-oic acid;Olean-12-en-28-oic acid,3-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propenyl]oxy]-,(3beta)- (9CI)
PSA 63.60000
LogP 10.15130

(3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid Chemical Properties

Molecular Structure of (3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid (CAS No.892869-42-0):

Molecular Formula: C₃₉H₅₃ClO₄
Molecular Weight: 621.29
CAS No: 892869-42-0
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 63.6 Å²
Index of Refraction: 1.582
Molar Refractivity: 177.24 cm³
Molar Volume: 530.8 cm³
Surface Tension: 48.9 dyne/cm
Density: 1.17 g/cm³
Flash Point: 366.3 °C
Enthalpy of Vaporization: 105.1 kJ/mol
Boiling Point: 682.1 °C at 760 mmHg
Vapour Pressure: 1.54E-19 mmHg at 25°C
InChI: InChI=1/C₃₉H₅₃ClO₄/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
InChIKey: VVRRKSVMSIMNKI-CEDKKCENBU
Std. InChI: InChI=1S/C₃₉H₅₃ClO₄/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
Std. InChIKey: VVRRKSVMSIMNKI-CEDKKCENSA-N
Synonyms of (3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid (CAS No.892869-42-0): (3beta)-3-{[(2E)-3-(4-Chlorophenyl)prop-2-enoyl]oxy}olean-12-en-28-oic acid ; Olean-12-en-28-oic acid, 3-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propen-1-yl]oxy]-, (3beta)-
Product Categories: Pentacyclic Triterpenes

Product Name

(3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid

(3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid Chemical Properties

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