Spektraris NMR
Jaeschkeanadiol p-hydroxybenzyl Ether
Common Name: Jaeschkeanadiol p-hydroxybenzyl Ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-15(2)22(24)12-11-21(4)10-9-16(3)13-19(20(21)22)25-14-17-5-7-18(23)8-6-17/h5-9,15,19-20,23-24H,10-14H2,1-4H3/t19-,20+,21-,22+/m0/s1
InChIKey: InChIKey=BNWXYCISZYQGKN-LNRXMEIDSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Spagliardi, P., Sterner, O., Milligan, S. J Nat Prod (2004) 67, 1557-64
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 43.4 |
| 2 (CH2) | 41.3 |
| 3 (CH2) | 30.6 |
| 4 (C) | 87.4 |
| 5 (CH) | 61.5 |
| 6 (CH) | 73.7 |
| 7 (CH2) | 40.8 |
| 8 (C) | 133.3 |
| 9 (CH) | 124.9 |
| 10 (CH2) | 39.6 |
| 11 (CH) | 37.4 |
| 12 (CH3) | 18.3 |
| 13 (CH3) | 17.1 |
| 14 (CH3) | 20.7 |
| 15 (CH3) | 19.7 |
| 1' (C) | 128.1 |
| 2' (CH) | 130.1 |
| 3' (CH) | 115.9 |
| 4' (C) | 157.1 |
| 5' (CH) | 115.9 |
| 6' (CH) | 130.1 |
| 7' (CH2) | 69.9 |
