Spektraris NMR
Phyllostacin I
Common Name: Phyllostacin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-16,21-24H,1,4-7H2,2-3H3/t9-,10+,11-,12+,13+,14-,15?,16?,18+,19-,20-/m0/s1
InChIKey: InChIKey=CYAZUXCFIYKSJO-HVLQTMEPSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, X., Weng, Z.Y., Li, Y., Pu, J.X., Huang, S.X., Xiao, W.L., Sun, H.D. Helv Chim Acta (2008) 91, 1130-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 28.7 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 41.5 |
| 4 (C) | 33.8 |
| 5 (CH) | 64.8 |
| 6 (CH) | 72.9 |
| 7 (C) | 101.3 |
| 8 (C) | 5.2 |
| 9 (CH) | 49.1 |
| 10 (C) | 43.1 |
| 11 (CH) | 64 |
| 12 (CH2) | 37 |
| 13 (CH) | 42.2 |
| 14 (CH) | 71 |
| 15 (CH) | 71.2 |
| 16 (C) | 155.6 |
| 17 (CH2) | 111.8 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 23.4 |
| 20 (CH) | 98.1 |
