Spektraris NMR
Tupichinol A Acetate
Common Name: Tupichinol A Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-12-18(24-4)10-7-16-11-19(26-14(3)23)21(27-20(12)16)15-5-8-17(9-6-15)25-13(2)22/h5-10,19,21H,11H2,1-4H3/t19-,21-/m1/s1
InChIKey: InChIKey=IDVCKHJDENGUBW-TZIWHRDSSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pan, W.B., Chang, F.R., Wei, L.M., Wu, Y.C. J Nat Prod (2003) 66, 161-8
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) | 76.7 |
| 3 (CH) | 68 |
| 4 (CH2) | 30.4 |
| 5 (CH) | 126.5 |
| 6 (CH) | 103.7 |
| 7 (C) | 157 |
| 8 (C) | 113.8 |
| 9 (C) | 152.3 |
| 10 (C) | 110.4 |
| 1' (C) | 135.7 |
| 2' (CH) | 127.3 |
| 3' (CH) | 121.2 |
| 4' (C) | 150.2 |
| 5' (CH) | 121.2 |
| 6' (CH) | 127.3 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21 |
| 7a (CH3) | 55.6 |
| 8a (CH3) | 8.2 |
| 4'a (C) | 169.3 |
| 4'b (CH3) | 20.8 |
