Spektraris NMR
1,13-Dihydroxyherbertene
Common Name: 1,13-Dihydroxyherbertene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-11-5-6-13(17)12(9-11)15(10-16)8-4-7-14(15,2)3/h5-6,9,16-17H,4,7-8,10H2,1-3H3/t15-/m0/s1
InChIKey: InChIKey=RWRCROWOIGNRGD-HNNXBMFYSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Irita, H., Hashimoto, T., Fukuyama, Y., Asakawa, Y. Phytochemistry (2000) 55, 247-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Herbertanes; 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) | 153.1 |
| 2 (CH) | 117.4 |
| 3 (CH) | 128.2 |
| 4 (C) | 128.7 |
| 5 (CH) | 130.9 |
| 6 (C) | 129.3 |
| 7 (C) | 56.7 |
| 8 (CH2) | 36 |
| 9 (CH2) | 21.1 |
| 10 (CH2) | 41.7 |
| 11 (C) | 45.4 |
| 12 (CH3) | 20.9 |
| 13 (CH2) | 69 |
| 14 (CH3) | 24.7 |
| 15 (CH3) | 26.6 |
