Spektraris NMR
Tupichinol B
Common Name: Tupichinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O5/c1-10-15(21-2)9-16(22-3)13-8-14(20)18(23-17(10)13)11-4-6-12(19)7-5-11/h4-7,9,14,18-20H,8H2,1-3H3/t14-,18-/m1/s1
InChIKey: InChIKey=ZCERTFNXYPDOND-RDTXWAMCSA-N
Formula: C18H20O5
Molecular Weight: 316.349086
Exact Mass: 316.131074
NMR Solvent: CD3COCD3
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) | 80 |
| 3 (CH) | 67.1 |
| 4 (CH2) | 30 |
| 5 (C) | 158.3 |
| 6 (CH) | 89.6 |
| 7 (C) | 158.4 |
| 8 (C) | 106.4 |
| 9 (C) | 158.2 |
| 10 (C) | 102.5 |
| 1' (C) | 132.2 |
| 2' (CH) | 129.5 |
| 3' (CH) | 116.2 |
| 4' (C) | 154.9 |
| 5' (CH) | 116.2 |
| 6' (CH) | 129.5 |
| 5a (CH3) | 56.4 |
| 7a (CH3) | 56.7 |
| 8a (CH3) | 8.8 |
