Spektraris NMR
Verticillatol
Common Name: Verticillatol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h10,12-13,16-17H,3,5-9H2,1-2,4H3/t12-,13-,14+,15-/m0/s1
InChIKey: InChIKey=CKGNGZNSTIOFOY-XQLPTFJDSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hoang, V.D., Tan, G.T., Zhang, H.J., Tamez, P.A., Hung, N.V., Cuong, N.M., Soejarto, D.D., Fong, H.H., Pezzuto, J.M. Phytochemistry (2002) 59, 325-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 72.2 |
| 2 (CH2) | 32.2 |
| 3 (CH2) | 31 |
| 4 (C) | 153.8 |
| 5 (C) | 75.3 |
| 6 (CH2) | 34.7 |
| 7 (CH) | 38.7 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 31 |
| 10 (C) | 43.3 |
| 11 (CH) | 33.3 |
| 12 (CH3) | 20.1 |
| 13 (CH3) | 20.2 |
| 14 (CH3) | 13.3 |
| 15 (CH2) | 107.1 |
