Spektraris NMR
Cluytene F
Common Name: Cluytene F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-10-14-15-13(24)5-7-22(3,21(26)27-4)17(15)19(29-11(2)23)16(14)18(30-20(10)25)12-6-8-28-9-12/h6,8-9,13,15-19,24H,5,7H2,1-4H3/t13-,15+,16+,17-,18-,19-,22+/m1/s1
InChIKey: InChIKey=YRQYUGVEKQXONZ-TUKHMOTCSA-N
Formula: C22H26O8
Molecular Weight: 418.437889
Exact Mass: 418.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mossa, J.S., Muhammad, I., AlYahya, M.A., Mirza, H.H., ElFeraly, F.S., McPhail, A.T. J Nat Prod (1996) 59, 224-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 64.8 |
| 2 (CH2) | 29.1 |
| 3 (CH2) | 29.6 |
| 4 (C) | 44.2 |
| 5 (CH) | 46.6 |
| 6 (CH) | 72.1 |
| 7 (C) | 165.7 |
| 8 (C) | 119.8 |
| 9 (C) | 152.4 |
| 10 (CH) | 45.5 |
| 11 (CH) | 42.7 |
| 12 (CH) | 69.1 |
| 13 (C) | 122.8 |
| 14 (CH) | 109.3 |
| 15 (CH) | 143.5 |
| 16 (CH) | 141.5 |
| 17 (CH3) | 11.9 |
| 18 (CH3) | 13.4 |
| 19 (C) | 176.4 |
| 6a (C) | 169.5 |
| 6b (CH3) | 19.9 |
| 19a (CH3) | 51.9 |
