Spektraris NMR
6a-Acetoxyferruginol
Common Name: 6a-Acetoxyferruginol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-13(2)16-10-15-11-19(25-14(3)23)20-21(4,5)8-7-9-22(20,6)17(15)12-18(16)24/h10,12-13,19-20,24H,7-9,11H2,1-6H3/t19-,20-,22+/m0/s1
InChIKey: InChIKey=DKFWEVHDRVCABW-JAXLGGSGSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Yu, M.T. J Nat Prod (1997) 60, 648-50
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 38.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.4 |
| 4 (C) | 34.1 |
| 5 (CH) | 53.8 |
| 6 (CH) | 71.6 |
| 7 (CH2) | 37.6 |
| 8 (C) | 125.3 |
| 9 (C) | 148 |
| 10 (C) | 35.5 |
| 11 (CH) | 109.7 |
| 12 (C) | 151.4 |
| 13 (C) | 131.4 |
| 14 (CH) | 126.3 |
| 15 (CH) | 28.8 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.6 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 21.8 |
| 6a (C) | 170.9 |
| 6b (CH3) | 22.4 |
