Spektraris NMR
Xeniolide J
Common Name: Xeniolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-11-8-16-19(28-16)22(5,25)7-6-13-14(20(24)26-10-15(11)13)9-17(27-12(2)23)18-21(3,4)29-18/h9,13,15-19,25H,1,6-8,10H2,2-5H3/b14-9+/t13-,15+,16-,17?,18?,19-,22+/m1/s1
InChIKey: InChIKey=PHCAQHOZNHQLMV-SROIZOLOSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bishara, A., Rudi, A., Goldberg, I., Benayahu, Y., Kashman, Y. Tetrahedron (2006) 62, 12092-7
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) | 143 |
| 2 (CH) | 44.6 |
| 3 (CH) | 35.4 |
| 4 (CH2) | 31.6 |
| 5 (CH2) | 31.9 |
| 6 (C) | 70.6 |
| 7 (CH) | 62.5 |
| 8 (CH) | 59.4 |
| 9 (CH2) | 33.9 |
| 10 (C) | 137.8 |
| 11 (CH) | 134.9 |
| 12 (CH) | 69.4 |
| 13 (CH) | 62.8 |
| 14 (C) | 59.7 |
| 15 (CH3) | 18.4 |
| 16 (CH3) | 24.6 |
| 17 (C) | 169.9 |
| 18 (CH2) | 70.5 |
| 19 (CH2) | 116.8 |
| 20 (CH3) | 32.5 |
| 12a (C) | 169.6 |
| 12b (CH3) | 20.8 |
