N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)benzoic acid
[CAS# 174740-64-8]

Identification

• Name: N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-7-aminoheptyl)carbamoyl)benzoic acid
• Synonyms: N'-(N-3Beta-Hydroxylup-20(29)-En-28-Oyl)-7-Aminoheptyl)Carbamoyl)Benzoic Acid; Aids-033517; Aids033517
• Molecular Formula: C₄₅H₆₈N₂O₅
• Molecular Weight: 717.04
• CAS Registry Number: 174740-64-8
• SMILES: [C@@]35([C@]2([C@@H]([C@@]1([C@H](C([C@H](CC1)O)(C)C)CC2)C)CC[C@@H]3[C@@H]6[C@@](C(=O)NCCCCCCCNC(C4=C(C(=O)O)C=CC=C4)=O)(CC5)CC[C@H]6C(=C)C)C)C
• InChI: 1S/C45H68N2O5/c1-29(2)30-19-24-45(40(52)47-28-14-10-8-9-13-27-46-38(49)31-15-11-12-16-32(31)39(50)51)26-25-43(6)33(37(30)45)17-18-35-42(5)22-21-36(48)41(3,4)34(42)20-23-44(35,43)7/h11-12,15-16,30,33-37,48H,1,8-10,13-14,17-28H2,2-7H3,(H,46,49)(H,47,52)(H,50,51)/t30-,33+,34-,35+,36-,37+,42-,43+,44+,45-/m0/s1
• InChIKey: DTARURXGDQCYHQ-JQJARDICSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 838.735°C at 760 mmHg (Cal.)
• Flash point: 461.05°C (Cal.)