Spektraris NMR
2,3-Epoxy-jaeschkeanadiol 5a-vanillate
Common Name: 2,3-Epoxy-jaeschkeanadiol 5a-vanillate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1
InChIKey: InChIKey=LUXHNMNHDPKHBY-CNAOLAIUSA-N
Formula: C23H32O6
Molecular Weight: 404.497459
Exact Mass: 404.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, B., Teranishi, R., Kawazoe, K., Takaishi, Y., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K. Phytochemistry (2000) 54, 717-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 44.4 |
| 2 (CH2) | 31.7 |
| 3 (CH2) | 40.5 |
| 4 (C) | 86 |
| 5 (CH) | 60.8 |
| 6 (CH) | 70.2 |
| 7 (CH2) | 44.3 |
| 8 (C) | 56.1 |
| 9 (CH) | 60.9 |
| 10 (CH2) | 41.2 |
| 11 (CH) | 37.2 |
| 12 (CH3) | 17.3 |
| 13 (CH3) | 18.5 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 19.3 |
| 1' (C) | 122.1 |
| 2' (CH) | 111.7 |
| 3' (C) | 146.3 |
| 4' (C) | 150.4 |
| 5' (CH) | 114.3 |
| 6' (CH) | 124.2 |
| 7' (C) | 166 |
| 3'a (CH3) | 55.9 |
