Spektraris NMR
3-Acetyl-14,15-epoxy-xeniolide H
Common Name: 3-Acetyl-14,15-epoxy-xeniolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13-6-7-17-21(5,27-17)10-8-15-18(13)19(24)28-22(15,12-25-14(2)23)11-9-16-20(3,4)26-16/h9,11,15-18H,1,6-8,10,12H2,2-5H3/b11-9+/t15-,16?,17-,18-,21-,22-/m0/s1
InChIKey: InChIKey=PTNNKASIHILQBL-FZLRUVKMSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Wang, S.K., Duh, C.Y. J Nat Prod (2006) 69, 338-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 141.6 |
| 2 (CH) | 57.9 |
| 3 (CH) | 43.1 |
| 4 (CH2) | 25.5 |
| 5 (CH2) | 38.3 |
| 6 (C) | 58.9 |
| 7 (CH) | 64.3 |
| 8 (CH2) | 28.8 |
| 9 (CH2) | 27.5 |
| 10 (C) | 85.5 |
| 11 (CH) | 128 |
| 12 (CH) | 130.7 |
| 13 (CH) | 62.7 |
| 14 (C) | 61.6 |
| 15 (CH3) | 18.7 |
| 16 (CH3) | 24.5 |
| 17 (CH2) | 64.2 |
| 18 (C) | 174.3 |
| 19 (CH2) | 122.7 |
| 20 (CH3) | 18.2 |
| 17a (C) | 170.2 |
| 17b (CH3) | 20.7 |
