Spektraris NMR
Triphyllin A
Common Name: Triphyllin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O16/c1-11-26(45-29-24(39)22(37)20(35)17(9-32)43-29)14(8-31)28(46-30-25(40)23(38)21(36)18(10-33)44-30)19-15(34)7-16(42-27(11)19)12-3-5-13(41-2)6-4-12/h3-6,15-18,20-25,29-40H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,25-,29+,30+/m1/s1
InChIKey: InChIKey=KIOGDCNEFKPDDB-HSKOKGOGSA-N
Formula: C30H40O16
Molecular Weight: 656.630186
Exact Mass: 656.231635
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhao, Z., Ruan, J., Jin, J., Zou, J., Zhou, D., Fang, W., Zeng, F. J Nat Prod (2006) 69, 265-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanols; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (CH) | 72.2 |
| 3 (CH2) | 36.5 |
| 4 (CH) | 56.9 |
| 5 (C) | 152 |
| 6 (C) | 120.9 |
| 7 (C) | 154.1 |
| 8 (C) | 115.7 |
| 9 (C) | 152.8 |
| 10 (C) | 115.5 |
| 1' (C) | 133.3 |
| 2' (CH) | 127.5 |
| 3' (CH) | 113.9 |
| 4' (C) | 158.9 |
| 5' (CH) | 113.9 |
| 6' (CH) | 127.5 |
| 1'' (CH) | 104.1 |
| 2'' (CH) | 73.9 |
| 3'' (CH) | 76.2 |
| 4'' (CH) | 70 |
| 5'' (CH) | 77 |
| 6'' (CH2) | 60.9 |
| 1''' (CH) | 103.7 |
| 2''' (CH) | 73.9 |
| 3''' (CH) | 76.1 |
| 4''' (CH) | 70 |
| 5''' (CH) | 76.5 |
| 6''' (CH2) | 60.9 |
| 6a (CH2) | 53 |
| 8a (CH3) | 9.5 |
| 4'a (CH3) | 55.1 |
