Spektraris NMR
9-Deoxy-isoxeniolide-A
Common Name: 9-Deoxy-isoxeniolide-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-7-5-8-15(2)18-13-23-19(21)17(16(18)11-10-14)9-6-12-20(3,4)22/h6-7,9,12,16,18,22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,17-9-/t16-,18+/m1/s1
InChIKey: InChIKey=PGYRSUFCGXKLPM-NRTVDCPFSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 152.1 |
| 2 (CH) | 49.9 |
| 3 (CH) | 51.5 |
| 4 (CH2) | 37.8 |
| 5 (CH2) | 40 |
| 6 (C) | 135.5 |
| 7 (CH) | 124.3 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 34.9 |
| 10 (C) | 133.4 |
| 11 (CH) | 135.5 |
| 12 (CH) | 122.6 |
| 13 (CH) | 147.4 |
| 14 (C) | 70.9 |
| 15 (CH3) | 29.4 |
| 16 (CH3) | 29.3 |
| 17 (C) | 169.2 |
| 18 (CH2) | 71.2 |
| 19 (CH2) | 113 |
| 20 (CH3) | 16.3 |
