Spektraris NMR
Petalostigmones A
Common Name: Petalostigmones A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-6-19(4)10-13-7-8-15-16(20(13,5)12-17(19)22)9-14(21)11-18(15,2)3/h6,9,13,15,17,22H,1,7-8,10-12H2,2-5H3/t13-,15+,17+,19+,20-/m0/s1
InChIKey: InChIKey=XWOJPPAKRATBNH-SWSAAOHUSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grace, M.H., Jin, Y., Wilson, G.R., Coates, R.M. Phytochemistry (2006) 67, 1708-15
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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 (CH) | 119.8 |
| 2 (C) | 200.8 |
| 3 (CH2) | 49.6 |
| 4 (C) | 34.6 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 28.6 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 41.3 |
| 9 (C) | 42.8 |
| 10 (C) | 172.1 |
| 11 (CH2) | 39.7 |
| 12 (CH) | 72 |
| 13 (C) | 42.3 |
| 14 (CH2) | 39.4 |
| 15 (CH) | 147.5 |
| 16 (CH2) | 113.3 |
| 17 (CH3) | 15 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 25.3 |
| 20 (CH3) | 18.4 |
