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851475-43-9

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Basic Information
CAS No.: 851475-43-9
Name: N-[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]-L-leucine
Molecular Structure:
Molecular Structure of 851475-43-9 (N-[(3beta)-3-Hydroxy-28-oxoolean-12-en-28-yl]-L-leucine)
Formula: C36H59 N O4
Molecular Weight: 569.86
Synonyms: N-[(3β)-3-hydroxy-28-oxoolean-12-en-28-yl]- L-leucine;N-[(3BETA)-3-HYDROXY-28-OXOOLEAN-12-EN-28-YL]-L-LEUCINE
PSA: 90.12000
LogP: 8.60480
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Chemistry

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

Specification

  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 .