Spektraris NMR
9-Deoxy-7,8-epoxy-isoxeniolide-A
Common Name: 9-Deoxy-7,8-epoxy-isoxeniolide-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-7-8-17-20(4,24-17)11-9-14-15(6-5-10-19(2,3)22)18(21)23-12-16(13)14/h5-6,10,14,16-17,22H,1,7-9,11-12H2,2-4H3/b10-5+,15-6-/t14-,16+,17+,20+/m1/s1
InChIKey: InChIKey=YXTOBXGODMEKLL-PDXUZGLRSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Gamal, A.A., Chiang, C.Y., Huang, S.H., Wang, S.K., Duh, C.Y. J Nat Prod (2005) 68, 1336-40
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) | 141.8 |
| 2 (CH) | 48.9 |
| 3 (CH) | 50.7 |
| 4 (CH2) | 36.3 |
| 5 (CH2) | 39.7 |
| 6 (C) | 59 |
| 7 (CH) | 62.1 |
| 8 (CH2) | 25 |
| 9 (CH2) | 29.7 |
| 10 (C) | 132.5 |
| 11 (CH) | 136.9 |
| 12 (CH) | 122.5 |
| 13 (CH) | 148.3 |
| 14 (C) | 70.9 |
| 15 (CH3) | 29.4 |
| 16 (CH3) | 29.3 |
| 17 (C) | 168.5 |
| 18 (CH2) | 71.6 |
| 19 (CH2) | 114.9 |
| 20 (CH3) | 16.3 |
