Spektraris NMR
Naviculyl Caffeate
Common Name: Naviculyl Caffeate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O4/c1-16-9-12-24(4)17(2)19(10-13-23(16,24)3)11-14-28-22(27)8-6-18-5-7-20(25)21(26)15-18/h5-8,11,15-17,25-26H,9-10,12-14H2,1-4H3/b8-6+,19-11+/t16-,17-,23+,24+/m1/s1
InChIKey: InChIKey=AFTXHVWTXMMGNO-XXDXTQPLSA-N
Formula: C24H32O4
Molecular Weight: 384.509385
Exact Mass: 384.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Burgess, E.J., Larsen, L., Perry, N.B. J Nat Prod (2000) 63, 537-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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 (CH) | 43.9 |
| 2 (CH2) | 30.3 |
| 3 (CH2) | 38.1 |
| 4 (CH) | 40.6 |
| 5 (C) | 150.3 |
| 6 (CH2) | 29.9 |
| 7 (CH2) | 39.3 |
| 8 (C) | 44.2 |
| 9 (C) | 47.9 |
| 10 (CH) | 116 |
| 11 (CH2) | 60.9 |
| 12 (CH3) | 19.3 |
| 13 (CH3) | 19.2 |
| 14 (CH3) | 21.8 |
| 15 (CH3) | 16.4 |
| 11a (C) | 168 |
| 11b (CH) | 115.5 |
| 11c (CH) | 145 |
| 11d (C) | 127.5 |
| 11e (CH) | 114.3 |
| 11f (C) | 143.9 |
| 11g (C) | 146.5 |
| 11h (CH) | 115.4 |
| 11i (CH) | 122.4 |
