Spektraris NMR
Methylisocomen-12-oate
Common Name: Methylisocomen-12-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O2/c1-11-6-9-15(13(17)18-4)12(2)10-14(3)7-5-8-16(11,14)15/h10-11H,5-9H2,1-4H3/t11-,14+,15+,16?/m0/s1
InChIKey: InChIKey=TVCZZGHOJYZDQA-GHOLJIKESA-N
Formula: C16H24O2
Molecular Weight: 248.361162
Exact Mass: 248.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Comey, N., Grey, A.I., Hook, I.L., James, P., Sheridan, H. Phytochemistry (1999) 50, 1057-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Isocomanes; 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) | 57.6 |
| 2 (CH) | 137.2 |
| 3 (C) | 137.7 |
| 4 (C) | 73.8 |
| 5 (CH2) | 35.3 |
| 6 (CH2) | 33.1 |
| 7 (CH) | 39.8 |
| 8 (C) | 69.3 |
| 9 (CH2) | 32.7 |
| 10 (CH2) | 23.6 |
| 11 (CH2) | 42.1 |
| 12 (CH3) | 23.5 |
| 13 (CH3) | 14.1 |
| 14 (C) | 175.6 |
| 15 (CH3) | 16.4 |
| 14a (CH3) | 51.3 |
