Spektraris NMR
Lancerotriol 6-vanillate
Common Name: Lancerotriol 6-vanillate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O6/c1-13(2)23(27)9-8-22(4)12-17(25)14(3)10-19(20(22)23)29-21(26)15-6-7-16(24)18(11-15)28-5/h6-7,10-11,13,17,19-20,24-25,27H,8-9,12H2,1-5H3/t17-,19-,20+,22+,23+/m0/s1
InChIKey: InChIKey=YEYDMYXRNHSXFX-KZMGXOGOSA-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) | 42.6 |
| 2 (CH2) | 42.1 |
| 3 (CH2) | 31.9 |
| 4 (C) | 86.7 |
| 5 (CH) | 55 |
| 6 (CH) | 73.2 |
| 7 (CH) | 126.4 |
| 8 (C) | 139.2 |
| 9 (CH) | 70 |
| 10 (CH2) | 50.7 |
| 11 (CH) | 37.2 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 24.1 |
| 15 (CH3) | 19.2 |
| 1' (C) | 122.5 |
| 2' (CH) | 112.1 |
| 3' (C) | 146.4 |
| 4' (C) | 150.5 |
| 5' (CH) | 111.4 |
| 6' (CH) | 124.6 |
| 7' (C) | 166.6 |
| 3'a (CH3) | 56.3 |
