Spektraris NMR
17-Hydroxyphylloclad-15-en-3-one
Common Name: 17-Hydroxyphylloclad-15-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-18(2)15-6-9-20-10-13(14(11-20)12-21)4-5-16(20)19(15,3)8-7-17(18)22/h11,13,15-16,21H,4-10,12H2,1-3H3/t13-,15+,16-,19+,20+/m1/s1
InChIKey: InChIKey=HDMZCALPGJWRNN-OPLZCHAUSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, G., Muller, R., Ruedi, P. Helv Chim Acta (2003) 86, 420-38
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 36.8 |
| 2 (CH2) | 34.3 |
| 3 (C) | 217.4 |
| 4 (C) | 47.3 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 37.8 |
| 8 (C) | 47.6 |
| 9 (CH) | 52.2 |
| 10 (C) | 36.85 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 39.5 |
| 14 (CH2) | 54.5 |
| 15 (CH) | 160.9 |
| 16 (C) | 145.1 |
| 17 (CH2) | 61.2 |
| 18 (CH3) | 26.1 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 14.7 |
