Spektraris NMR
Tupichinol B Acetate
Common Name: Tupichinol B Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-12-18(25-4)11-19(26-5)17-10-20(28-14(3)24)22(29-21(12)17)15-6-8-16(9-7-15)27-13(2)23/h6-9,11,20,22H,10H2,1-5H3/t20-,22-/m1/s1
InChIKey: InChIKey=KYDVKDHJJUIXLV-IFMALSPDSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
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) | 76.6 |
| 3 (CH) | 67.6 |
| 4 (CH2) | 29.6 |
| 5 (C) | 156.1 |
| 6 (CH) | 99.9 |
| 7 (C) | 157 |
| 8 (C) | 115.1 |
| 9 (C) | 152.8 |
| 10 (C) | 106.1 |
| 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) | 21.1 |
| 5a (CH3) | 55.4 |
| 7a (CH3) | 55.9 |
| 8a (CH3) | 7.7 |
| 4'a (C) | 169.3 |
| 4'b (CH3) | 20.9 |
