Spektraris NMR
5-Epihyrtiophenol
Common Name: 5-Epihyrtiophenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O3/c1-15-7-6-8-20-22(15,3)12-11-16(2)23(20,4)14-18-13-17(21(25)26-5)9-10-19(18)24/h7,9-10,13,16,20,24H,6,8,11-12,14H2,1-5H3/t16-,20+,22-,23+/m0/s1
InChIKey: InChIKey=TWZHUXQQMDYCHL-HZUHNNHMSA-N
Formula: C23H32O3
Molecular Weight: 356.499245
Exact Mass: 356.235145
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) | 19.8 |
| 2 (CH2) | 25 |
| 3 (CH) | 124.3 |
| 4 (C) | 139.9 |
| 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) | 20.4 |
| 12 (CH3) | 32.9 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 17.3 |
| 15 (CH2) | 38.2 |
| 1' (C) | 125.9 |
| 2' (C) | 159.5 |
| 3' (CH) | 116 |
| 4' (CH) | 129.9 |
| 5' (C) | 122.7 |
| 6' (CH) | 135.8 |
| 3'a (C) | 167.9 |
| 3'b (CH3) | 52.5 |
