Spektraris NMR
2α-Acetoxyepitulipinolide
Common Name: 2α-Acetoxyepitulipinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-10-6-15(23-13(4)20)7-11(2)9-17-18(12(3)19(22)25-17)16(8-10)24-14(5)21/h6,9,15-18H,3,7-8H2,1-2,4-5H3/b10-6+,11-9+/t15-,16-,17-,18-/m1/s1
InChIKey: InChIKey=IRECILKMYXAGTO-IFPIRTOASA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tori, M., Takeichi, Y., Kuga, H., Nakashima, K., Sono, M. Chem Pharm Bull (2002) 50, 1250-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 129.8 |
| 2 (CH) | 70.9 |
| 3 (CH2) | 44.9 |
| 4 (C) | 141.9 |
| 5 (CH) | 129.6 |
| 6 (CH) | 74.8 |
| 7 (CH) | 52.7 |
| 8 (CH) | 70.9 |
| 9 (CH2) | 43.7 |
| 10 (C) | 136.1 |
| 11 (C) | 136.6 |
| 12 (C) | 169.3 |
| 13 (CH2) | 120.8 |
| 14 (CH3) | 19.8 |
| 15 (CH3) | 18.4 |
| 2a (C) | 170.1 |
| 2b (CH3) | 20.8 |
| 8a (C) | 168.9 |
| 8b (CH3) | 21.1 |
