3-Hydroxy-(28-4-Coumaroyloxy)Lup-20(29)-En-27-Oic Acid
[CAS# 85540-98-3]

Identification

• Name: 3-Hydroxy-(28-4-Coumaroyloxy)Lup-20(29)-En-27-Oic Acid
• Synonyms: Hcola; Lup-20(29)-En-27-Oic Acid, 3-Hydroxy-28-((3-(4-Hydroxyphenyl)-1-Oxo-2-Propenyl)Oxy)-, (3Beta)-
• Molecular Formula: C₃₉H₅₄O₆
• Molecular Weight: 618.85
• CAS Registry Number: 85540-98-3
• SMILES: [C@@H]1(CC[C@]5([C@H](C1(C)C)CC[C@@]6(C)[C@]4(C(=O)O)CC[C@@]3(COC(\C=C\C2=CC=C(C=C2)O)=O)CC[C@@H](C(=C)C)[C@@H]3[C@H]4CC[C@H]56)C)O
• InChI: 1S/C39H54O6/c1-24(2)27-15-20-38(23-45-32(42)14-9-25-7-10-26(40)11-8-25)21-22-39(34(43)44)28(33(27)38)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-11,14,27-31,33,40-41H,1,12-13,15-23H2,2-6H3,(H,43,44)/b14-9+/t27-,28+,29-,30+,31-,33+,36-,37+,38+,39+/m0/s1
• InChIKey: JCJRDRGIXVRCJM-KMLNKWDKSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 720.185°C at 760 mmHg (Cal.)
• Flash point: 216.203°C (Cal.)