Spektraris NMR
Phyllostacin H
Common Name: Phyllostacin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-18(2)7-4-8-19-12-6-5-10-11(9-25-3)14(22)20(12)16(10)26-17(19)27-21(20,24)15(23)13(18)19/h10-13,15-17,23-24H,4-9H2,1-3H3/t10-,11+,12-,13+,15-,16?,17?,19+,20-,21-/m0/s1
InChIKey: InChIKey=YZKXIMLCIGVNRB-SWORBPPYSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
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) | 27.4 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 41.3 |
| 4 (C) | 33.8 |
| 5 (CH) | 63.5 |
| 6 (CH) | 72.9 |
| 7 (C) | 101.8 |
| 8 (C) | 57.6 |
| 9 (CH) | 44.4 |
| 10 (C) | 42.7 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 19.1 |
| 13 (CH) | 35.7 |
| 14 (CH) | 71.2 |
| 15 (C) | 210.9 |
| 16 (CH) | 53.1 |
| 17 (CH2) | 68.5 |
| 18 (CH3) | 31.7 |
| 19 (CH3) | 23.3 |
| 20 (CH) | 98.3 |
| 17a (CH3) | 58.6 |
