Spektraris NMR
Vibralactone C
Common Name: Vibralactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H14O3/c1-8(2)3-4-12-6-9(7-13)5-10(12)15-11(12)14/h3,6-7,10H,4-5H2,1-2H3/t10-,12+/m0/s1
InChIKey: InChIKey=NONXCMZACNHNHI-CMPLNLGQSA-N
Formula: C12H14O3
Molecular Weight: 206.238216
Exact Mass: 206.094294
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, M.Y., Wang, F., Yang, X.L., Fang, L.Z., Dong, Z.J., Zhu, H.J., Liu, J.K. Chem Pharm Bull (2008) 56, 1286-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Vibralactones; 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) | 76.1 |
| 2 (CH) | 144.6 |
| 3 (C) | 146.8 |
| 4 (CH2) | 34.1 |
| 5 (CH) | 78 |
| 7 (C) | 170 |
| 8 (CH2) | 27.3 |
| 9 (CH) | 116.2 |
| 10 (C) | 137.2 |
| 11 (CH3) | 18 |
| 12 (CH3) | 25.8 |
| 13 (CH) | 188.9 |
