Spektraris NMR
18-Hydroxy-5-epihyrtiophenol
Common Name: 18-Hydroxy-5-epihyrtiophenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-14-7-6-8-19-22(14,3)10-9-15(2)23(19,4)13-17-11-16(21(26)27-5)12-18(24)20(17)25/h7,11-12,15,19,24-25H,6,8-10,13H2,1-5H3/t15-,19+,22-,23+/m0/s1
InChIKey: InChIKey=VXQUGYOYJDITTO-KNSMUJDWSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
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) | 19.7 |
| 2 (CH2) | 25 |
| 3 (CH) | 124.3 |
| 4 (C) | 140 |
| 5 (C) | 37.7 |
| 6 (CH2) | 37.8 |
| 7 (CH2) | 29.5 |
| 8 (CH) | 37.6 |
| 9 (C) | 43.9 |
| 10 (CH) | 44.9 |
| 11 (CH3) | 20.5 |
| 12 (CH3) | 33 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 17.3 |
| 15 (CH2) | 38.1 |
| 1' (C) | 126.2 |
| 2' (C) | 149.2 |
| 3' (C) | 143.1 |
| 4' (CH) | 114.6 |
| 5' (C) | 121.3 |
| 6' (CH) | 128.1 |
| 3'a (C) | 168.2 |
| 3'b (CH3) | 52.8 |
