Spektraris NMR
18-Hydroxyhyrtiophenol
Common Name: 18-Hydroxyhyrtiophenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h8-9,12,15,19,22-23H,1,5-7,10-11,13H2,2-4H3/t15-,19+,20-,21+/m0/s1
InChIKey: InChIKey=FBMAHDGTCDISLJ-PSMQTCRGSA-N
Formula: C21H30O2
Molecular Weight: 314.462486
Exact Mass: 314.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salmoun, M., Devijver, C., Daloze, D., Braekman, J.C., Gomez, R., de Kluijver, M., Van Soest, R.W. J Nat Prod (2000) 63, 452-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 23.2 |
| 2 (CH2) | 25.6 |
| 3 (CH2) | 32.6 |
| 4 (C) | 155.3 |
| 5 (C) | 40 |
| 6 (CH2) | 38.1 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 38.2 |
| 9 (C) | 44.2 |
| 10 (CH) | 47.1 |
| 11 (CH2) | 106.5 |
| 12 (CH3) | 33.6 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 19.8 |
| 15 (CH2) | 38.3 |
| 1' (C) | 127.2 |
| 2' (C) | 149.4 |
| 3' (CH) | 117 |
| 4' (CH) | 114.5 |
| 5' (C) | 154.1 |
| 6' (CH) | 120 |
