Spektraris NMR
comosone III
Common Name: comosone III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O4/c1-9(17)6-7-10-12-13(19-5)16(14(2,3)20-16)11(18)8-15(10,12)4/h10,12-13H,6-8H2,1-5H3/t10-,12+,13+,15+,16-/m1/s1
InChIKey: InChIKey=BSSGAXQIJZFCNU-QSCHEVOUSA-N
Formula: C16H24O4
Molecular Weight: 280.359972
Exact Mass: 280.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, F., Nakamura, S., Qu, Y., Matsuda, H., Pongpiriyadacha, Y., Wu, L., Yoshikawa, M. Chem Pharm Bull (2008) 56, 1710-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Carabranes; 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) | 25.9 |
| 2 (CH2) | 23 |
| 3 (CH2) | 43.3 |
| 4 (C) | 208 |
| 5 (CH) | 30.4 |
| 6 (CH) | 79.3 |
| 7 (C) | 69.9 |
| 8 (C) | 204.9 |
| 9 (CH2) | 47.2 |
| 10 (C) | 18.8 |
| 11 (C) | 62.6 |
| 12 (CH3) | 19.4 |
| 13 (CH3) | 20.8 |
| 14 (CH3) | 19.3 |
| 15 (CH3) | 30 |
| 6a (CH3) | 57.7 |
