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Cas Database |
| Name |
(3beta)-3-[[(2E)-3-(4-Chlorophenyl)-1-oxo-2-propenyl]oxy]-olean-12-en-28-oic acid |
EINECS | N/A |
| CAS No. | 892869-42-0 | Density | N/A |
| PSA | 63.60000 | LogP | 10.15130 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C39H53 Cl O4 | Boiling Point | N/A |
| Molecular Weight | 621.3 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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) |
Article Data | 2 |
(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
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