Spektraris NMR
1-O-acetylcluytene F
Common Name: 1-O-acetylcluytene F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O9/c1-11-16-17-15(31-12(2)25)6-8-24(4,23(28)29-5)19(17)21(32-13(3)26)18(16)20(33-22(11)27)14-7-9-30-10-14/h7,9-10,15,17-21H,6,8H2,1-5H3/t15-,17+,18+,19-,20-,21-,24+/m1/s1
InChIKey: InChIKey=PXABHVYFKDKKBN-FYJYRZGRSA-N
Formula: C24H28O9
Molecular Weight: 460.474647
Exact Mass: 460.173332
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) | 68.2 |
| 2 (CH2) | 25.1 |
| 3 (CH2) | 30.3 |
| 4 (C) | 43.7 |
| 5 (CH) | 48 |
| 6 (CH) | 68.6 |
| 7 (C) | 165.3 |
| 8 (C) | 120.1 |
| 9 (C) | 151 |
| 10 (CH) | 43.5 |
| 11 (CH) | 42.5 |
| 12 (CH) | 71.9 |
| 13 (C) | 122.7 |
| 14 (CH) | 109.2 |
| 15 (CH) | 143.6 |
| 16 (CH) | 141.5 |
| 17 (CH3) | 11.9 |
| 18 (CH3) | 13.4 |
| 19 (C) | 176.3 |
| 1a (C) | 170.1 |
| 1b (CH3) | 21.3 |
| 6a (C) | 169.3 |
| 6b (CH3) | 19.9 |
| 19a (CH3) | 52 |
