Spektraris NMR
Kairatenyl palmitate
Common Name: Kairatenyl palmitate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-24-40(47)48-39-29-32-44(7)36(42(39,4)5)28-34-46(9)38(44)26-25-37-43(6)31-23-30-41(2,3)35(43)27-33-45(37,46)8/h25,35-36,38-39H,10-24,26-34H2,1-9H3/t35-,36-,38+,39-,43-,44-,45+,46+/m0/s1
InChIKey: InChIKey=ZNCPUWUUHZXFFM-QIAHZQGUSA-N
Formula: C46H80O2
Molecular Weight: 665.127921
Exact Mass: 664.615832
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S., Schilling, J.K., Miller, J.S., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2002) 65, 1222-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Gammaceranes; 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) | 37.5 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.6 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.5 |
| 8 (C) | 39.6 |
| 9 (CH) | 48.5 |
| 10 (C) | 36.6 |
| 11 (CH2) | 23.3 |
| 12 (CH) | 117.6 |
| 13 (C) | 146.7 |
| 14 (C) | 41.8 |
| 15 (CH2) | 24.8 |
| 16 (CH2) | 29.4 |
| 17 (CH) | 37.5 |
| 18 (C) | 41.6 |
| 19 (CH2) | 23.9 |
| 20 (CH2) | 22.1 |
| 21 (CH2) | 36.2 |
| 22 (C) | 37.7 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 21.6 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 25.6 |
| 30 (CH3) | 22.2 |
| 3a (C) | 173.7 |
| 3b (CH2) | 34.8 |
| 3c (CH2) | 25.2 |
| 3d (CH2) | 29.5 |
| 3e (CH2) | 29.5 |
| 3f (CH2) | 29.5 |
| 3g (CH2) | 29.5 |
| 3h (CH2) | 29.5 |
| 3i (CH2) | 29.5 |
| 3j (CH2) | 29.5 |
| 3k (CH2) | 29.5 |
| 3l (CH2) | 29.5 |
| 3m (CH2) | 29.5 |
| 3n (CH2) | 31.9 |
| 3o (CH2) | 22.7 |
| 3p (CH3) | 14.1 |
