Spektraris NMR
19-Acetoxyferruginol
Common Name: 19-Acetoxyferruginol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-14(2)17-11-16-7-8-20-21(4,13-25-15(3)23)9-6-10-22(20,5)18(16)12-19(17)24/h11-12,14,20,24H,6-10,13H2,1-5H3/t20-,21+,22+/m0/s1
InChIKey: InChIKey=XWVGMPJQSWKTJV-BHDDXSALSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
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) | 37.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 38.8 |
| 4 (C) | 36 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 30.3 |
| 8 (C) | 126.8 |
| 9 (C) | 148 |
| 10 (C) | 37.4 |
| 11 (CH) | 111.1 |
| 12 (C) | 150.9 |
| 13 (C) | 131.8 |
| 14 (CH) | 126.7 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 25.6 |
| 19 (CH2) | 67 |
| 20 (CH3) | 27.3 |
| 19a (C) | 171.4 |
| 19b (CH3) | 21 |
