Molecular Structure of N-[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]-L-leucine (CAS No.851475-43-9):

Molecular Formula: C₃₆H₅₉NO₄
Molecular Weight: 569.86
CAS No: 851475-43-9
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 86.63 Å²
Index of Refraction: 1.551
Molar Refractivity: 165.08 cm³
Molar Volume: 516.7 cm³
Surface Tension: 46.1 dyne/cm
Density: 1.1 g/cm³
Flash Point: 367.5 °C
Enthalpy of Vaporization: 114.76 kJ/mol
Boiling Point: 684.1 °C at 760 mmHg
Vapour Pressure: 1.15E-21 mmHg at 25°C
InChI: InChI=1/C₃₆H₅₉NO₄/c1-22(2)20-25(29(39)40)37-30(41)36-18-16-31(3,4)21-24(36)23-10-11-27-33(7)14-13-28(38)32(5,6)26(33)12-15-35(27,9)34(23,8)17-19-36/h10,22,24-28,38H,11-21H2,1-9H3,(H,37,41)(H,39,40)/t24-,25-,26-,27+,28-,33-,34+,35+,36-/m0/s1
InChIKey: UTLXWZDTYYCZOK-WUPPZROKBL
Std. InChI: InChI=1S/C₃₆H₅₉NO₄/c1-22(2)20-25(29(39)40)37-30(41)36-18-16-31(3,4)21-24(36)23-10-11-27-33(7)14-13-28(38)32(5,6)26(33)12-15-35(27,9)34(23,8)17-19-36/h10,22,24-28,38H,11-21H2,1-9H3,(H,37,41)(H,39,40)/t24-,25-,26-,27+,28-,33-,34+,35+,36-/m0/s1
Std. InChIKey: UTLXWZDTYYCZOK-WUPPZROKSA-N
Systematic Name: L-Leucine, N-[(3beta)-3-hydroxy-28-oxoolean-12-en-28-yl]-
Product Categories: Pentacyclic Triterpenes

  N-[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]-L-leucine (CAS No.851475-43-9), its synonyms are L-leucine, N-[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]- ; N-[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]-L-leucine .