Neochlorogenin
[CAS# 511-91-1]

Identification

• Name: Neochlorogenin
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 511-91-1
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@@H]([C@H](C1)O)C[C@H](CC2)O)C)CC3)C[C@H]5[C@@H]4[C@@H](C6(O5)OC[C@H](CC6)C)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?/m0/s1
• InChIKey: PZNPHSFXILSZTM-IJPYDKLFSA-N