Chlorogenin
[CAS# 562-34-5]

Identification

• Name: Chlorogenin
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 562-34-5
• SMILES: [C@H]34[C@@](C2C(O[C@@]1(OC[C@@H](CC1)C)[C@H]2C)C3)(CCC5C4C[C@H](O)[C@@H]6[C@@]5(CC[C@H](O)C6)C)C
• InChI: 1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18?,19?,20+,21-,22+,23?,24?,25-,26+,27-/m1/s1
• InChIKey: PZNPHSFXILSZTM-LLDSXEKNSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 550.452°C at 760 mmHg (Cal.)
• Flash point: 286.703°C (Cal.)