Spektraris NMR
Tupichinol A
Common Name: Tupichinol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O4/c1-10-15(20-2)8-5-12-9-14(19)17(21-16(10)12)11-3-6-13(18)7-4-11/h3-8,14,17-19H,9H2,1-2H3/t14-,17-/m1/s1
InChIKey: InChIKey=PSCVPMJLJOIQKC-RHSMWYFYSA-N
Formula: C17H18O4
Molecular Weight: 286.323064
Exact Mass: 286.120509
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) | 80.1 |
| 3 (CH) | 67.6 |
| 4 (CH2) | 34.9 |
| 5 (CH) | 128.6 |
| 6 (CH) | 104.7 |
| 7 (C) | 158.3 |
| 8 (C) | 114 |
| 9 (C) | 154.4 |
| 10 (C) | 113.6 |
| 1' (C) | 132.1 |
| 2' (CH) | 129.5 |
| 3' (CH) | 116.2 |
| 4' (C) | 158.2 |
| 5' (CH) | 116.2 |
| 6' (CH) | 129.5 |
| 7a (CH3) | 56.6 |
| 8a (CH3) | 9.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.