-
Name
(3beta)-3-Hydroxy-2-(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester
- EINECS
- CAS No. 892869-55-5
- Article Data1
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C37H53 N O4
- Boiling Point
- Molecular Weight 575.82
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms (3β)-3-Hydroxy-2- (hydroxyimino)- olean- 12-en-28-oic acid phenylmethyl ester;(3BETA)-3-HYDROXY-2-(HYDROXYIMINO)OLEAN-12-EN-28-OIC ACID PHENYLMETHYL ESTER
- PSA 79.12000
- LogP 8.33250
(3beta)-3-Hydroxy-2-(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester Chemical Properties
Molecular Structure of (3beta)-3-Hydroxy-2-(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester (CAS No.892869-55-5):
Molecular Formula: C37H53NO4
Molecular Weight: 575.82
CAS No: 892869-55-5
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 79.12 Å2
Index of Refraction: 1.602
Molar Refractivity: 166.67 cm3
Molar Volume: 485.2 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.18 g/cm3
Flash Point: 350.1 °C
Enthalpy of Vaporization: 101.39 kJ/mol
Boiling Point: 655.2 °C at 760 mmHg
Vapour Pressure: 4.63E-18 mmHg at 25°C
InChI: InChI=1/C37H53NO4/c1-32(2)17-19-37(31(40)42-23-24-11-9-8-10-12-24)20-18-35(6)25(26(37)21-32)13-14-29-34(5)22-27(38-41)30(39)33(3,4)28(34)15-16-36(29,35)7/h8-13,26,28-30,39,41H,14-23H2,1-7H3/b38-27-/t26-,28-,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey: YMZNNSBJOHBZBG-DLDKSHQZBU
Std. InChI: InChI=1S/C37H53NO4/c1-32(2)17-19-37(31(40)42-23-24-11-9-8-10-12-24)20-18-35(6)25(26(37)21-32)13-14-29-34(5)22-27(38-41)30(39)33(3,4)28(34)15-16-36(29,35)7/h8-13,26,28-30,39,41H,14-23H2,1-7H3/b38-27-/t26-,28-,29+,30-,34-,35+,36+,37-/m0/s1
Std. InChIKey: YMZNNSBJOHBZBG-DLDKSHQZSA-N
Product Categories: Pentacyclic Triterpenes
(3beta)-3-Hydroxy-2-(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester Specification
(3beta)-3-Hydroxy-2-(hydroxyimino)olean-12-en-28-oic acid phenylmethyl ester (CAS No.892869-55-5), its synonyms are Benzyl (2Z,3beta)-3-hydroxy-2-(hydroxyimino)olean-12-en-28-oate ; Olean-12-en-28-oic acid, 3-hydroxy-2-(hydroxyimino)-, phenylmethyl ester, (2Z,3beta)- .
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