Spektraris NMR
2''-O-Methyl cryptoporic acid H
Common Name: 2''-O-Methyl cryptoporic acid H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O7/c1-13-7-8-16-21(2,3)9-6-10-22(16,4)15(13)12-29-18(19(25)26)14(11-17(23)24)20(27)28-5/h14-16,18H,1,6-12H2,2-5H3,(H,23,24)(H,25,26)/t14-,15-,16-,18+,22+/m0/s1
InChIKey: InChIKey=IYZRYEITHZQKJK-KSRBKSDESA-N
Formula: C22H34O7
Molecular Weight: 410.50201
Exact Mass: 410.230453
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Cabrera G.M., Julia Roberti M., Wright J.E., Seldes A.M. Phytochemistry (2002) 61, 189-93
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) | 40.4 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 43.2 |
| 4 (C) | 34.4 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 38.7 |
| 8 (C) | 148.4 |
| 9 (CH) | 56.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 69.1 |
| 12 (CH2) | 108.5 |
| 13 (CH3) | 34.1 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 15.8 |
| 11a (CH) | 79.7 |
| 11b (CH) | 45.8 |
| 11c (CH2) | 33.1 |
| 11aa (C) | 174 |
| 11ba (C) | 173.3 |
| 11bb (CH3) | 52.5 |
| 11ca (C) | 175.2 |
