Spektraris NMR
CHEMBL457809
Common Name: CHEMBL457809
Synonyms: CHEMBL457809
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9(2)12-6-5-10(3)13(16)8-14(17)11(4)7-15(12)18/h7,9,12,14-15,17-18H,3,5-6,8H2,1-2,4H3/b11-7+/t12-,14+,15-/m0/s1
InChIKey: InChIKey=YAWLERPORBAXAE-TUUMZQRUSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Aviello, G., Ballero, M., Borrelli, F., Fattorusso, E., Petrucci, F., Santelia, F.U., Taglialatela-Scafati, O. J Nat Prod (2005) 68, 853-7
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 (C) | 200.2 |
| 2 (CH2) | 42.3 |
| 3 (CH) | 75.6 |
| 4 (C) | 133.2 |
| 5 (CH) | 132.7 |
| 6 (CH) | 68 |
| 7 (CH) | 47.5 |
| 8 (CH2) | 25.9 |
| 9 (CH2) | 33.1 |
| 10 (C) | 150.6 |
| 11 (CH) | 30.9 |
| 12 (CH3) | 20.6 |
| 13 (CH3) | 20.6 |
| 14 (CH2) | 126.2 |
| 4a (CH3) | 10.6 |
