Spektraris NMR
Nephthediol
Common Name: Nephthediol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-11(2)13-6-5-12(3)14(16)8-10-15(4,17)9-7-13/h7,9,11,13-14,16-17H,3,5-6,8,10H2,1-2,4H3/b9-7+/t13-,14-,15-/m0/s1
InChIKey: InChIKey=NSIOXFVMCTYIOU-DUIMAYQASA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kitagawa, I., Culi, Z., Son, B.W., Kobayashi, M., Kyogoku, Y. Chem Pharm Bull (1987) 35, 124
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 (CH) | 78.7 |
| 2 (CH2) | 38.7 |
| 3 (CH2) | 30 |
| 4 (C) | 72.3 |
| 5 (CH) | 137.7 |
| 6 (CH) | 129.9 |
| 7 (CH) | 49.9 |
| 8 (CH2) | 28.4 |
| 9 (CH2) | 28.4 |
| 10 (C) | 151.1 |
| 11 (CH) | 32.4 |
| 12 (CH3) | 20.6 |
| 13 (CH3) | 20.6 |
| 14 (CH2) | 111.4 |
| 15 (CH3) | 29.5 |
