Spektraris NMR
8a-Acetoxycryptomeridiol
Common Name: 8a-Acetoxycryptomeridiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H30O4/c1-11(18)21-13-10-16(4)7-6-8-17(5,20)14(16)9-12(13)15(2,3)19/h12-14,19-20H,6-10H2,1-5H3/t12?,13-,14+,16+,17+/m0/s1
InChIKey: InChIKey=QGBQCKMMTGGRLE-NTADBXQRSA-N
Formula: C17H30O4
Molecular Weight: 298.418353
Exact Mass: 298.214409
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Mata, R., Navarrete, A., Alvarez, L., Pereda Miranda, R., Delgado, G., Romo de Vivar, A. Phytochemistry (1987) 26, 191-3
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 (CH2) | 40 |
| 2 (CH2) | 22.2 |
| 3 (CH2) | 29.6 |
| 4 (C) | 70.3 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 35.1 |
| 7 (CH) | 51.6 |
| 8 (CH) | 70.6 |
| 9 (CH2) | 43 |
| 10 (C) | 50.1 |
| 11 (C) | 70.1 |
| 12 (CH3) | 21.5 |
| 13 (CH3) | 27.9 |
| 14 (CH3) | 18.6 |
| 15 (CH3) | 21 |
| 8a (C) | 169.6 |
| 8b (CH3) | 19.5 |
