Spektraris NMR
[3-O-[3-(4-Hydroxy-3-methoxyphenyl)propenoyl]galactaric acid 6-methyl]1,4-lactone
![[3-O-[3-(4-Hydroxy-3-methoxyphenyl)propenoyl]galactaric acid 6-methyl]1,4-lactone](/nmr/static/nmr/svg/18264.svg)
Common Name: [3-O-[3-(4-Hydroxy-3-methoxyphenyl)propenoyl]galactaric acid 6-methyl]1,4-lactone
Synonyms: [3-O-[3-(4-Hydroxy-3-methoxyphenyl)propenoyl]galactaric acid 6-methyl]1,4-lactone
CAS Registry Number:
InChI: InChI=1S/C17H18O10/c1-24-10-7-8(3-5-9(10)18)4-6-11(19)26-14-13(21)17(23)27-15(14)12(20)16(22)25-2/h3-7,12-15,18,20-21H,1-2H3/b6-4+/t12-,13+,14+,15-/m0/s1
InChIKey: InChIKey=HHMJLZWAMRVPTK-QPOIXSJNSA-N
Formula: C17H18O10
Molecular Weight: 382.319493
Exact Mass: 382.089997
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nakagawa, H., Takaishi, Y., Tanaka, N., Tsuchiya, K., Shibata, H., Higuti, T. J Nat Prod (2006) 69, 1177-9
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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 |
|---|---|
| 1 (C) | 127.4 |
| 2 (CH) | 111.9 |
| 3 (C) | 149.4 |
| 4 (C) | 151 |
| 5 (CH) | 116.6 |
| 6 (CH) | 124.4 |
| 7 (CH) | 148.6 |
| 8 (CH) | 113.8 |
| 9 (C) | 167.5 |
| 1' (C) | 175.4 |
| 2' (CH) | 75.7 |
| 3' (CH) | 71.5 |
| 4' (CH) | 77.9 |
| 5' (CH) | 71 |
| 6' (C) | 172.4 |
| 3a (CH3) | 56.5 |
| 6'a (CH3) | 52.9 |
