(3beta)-28-[(10-Carboxydecyl)Amino]-3-Hydroxy-28-Oxo-29,30-Dinorlupan-20-Oic Acid
[CAS# 173106-27-9]

Identification

• Name: (3beta)-28-[(10-Carboxydecyl)Amino]-3-Hydroxy-28-Oxo-29,30-Dinorlupan-20-Oic Acid
• Synonyms: 29,30-Dinorlupan-20-Oic Acid, 28-((10-Carboxydecyl)Amino)-3-Hydroxy-28-Oxo-, (3Beta)-; N-(19-Carboxy-3Beta-Hydroxy-20,29,30-Trinorlupan-28-Oyl)-11-Aminoundecanoic Acid; N-[19-Carboxy-3.Beta.-Hydroxy-20,29,30-Trinorlupan-28-Oyl]-11-Aminoundecanoic Acid
• Molecular Formula: C₃₉H₆₅NO₆
• Molecular Weight: 643.95
• CAS Registry Number: 173106-27-9
• SMILES: [C@@]34([C@]2([C@@H]([C@@]1([C@H](C([C@H](CC1)O)(C)C)CC2)C)CCC3[C@@H]5[C@@](C(=O)NCCCCCCCCCCC(=O)O)(CC4)CC[C@H]5C(=O)O)C)C
• InChI: 1S/C39H65NO6/c1-35(2)28-18-21-38(5)29(36(28,3)20-19-30(35)41)16-15-27-32-26(33(44)45)17-22-39(32,24-23-37(27,38)4)34(46)40-25-13-11-9-7-6-8-10-12-14-31(42)43/h26-30,32,41H,6-25H2,1-5H3,(H,40,46)(H,42,43)(H,44,45)/t26-,27?,28+,29-,30+,32-,36+,37-,38-,39+/m1/s1
• InChIKey: PZCVVCQRVOZVAJ-SHBZPGRUSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 779.293°C at 760 mmHg (Cal.)
• Flash point: 425.102°C (Cal.)