Spektraris NMR
9-Deacetoxy-7,8-epoxy-13-epi-xenicin
Common Name: 9-Deacetoxy-7,8-epoxy-13-epi-xenicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-14(2)12-21(31-16(4)27)24(32-17(5)28)20-13-30-25(33-18(6)29)23-15(3)8-9-22-26(7,34-22)11-10-19(20)23/h12-13,19,21-25H,3,8-11H2,1-2,4-7H3/t19-,21+,22+,23+,24-,25-,26+/m1/s1
InChIKey: InChIKey=LZOTVBPEWGLGQP-FOXVASFYSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
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) | 142.4 |
| 2 (CH) | 48.8 |
| 3 (CH) | 36.8 |
| 4 (CH2) | 29.6 |
| 5 (CH2) | 39.1 |
| 6 (C) | 60.2 |
| 7 (CH) | 62.6 |
| 8 (CH2) | 24.2 |
| 9 (CH2) | 29.6 |
| 10 (C) | 113.3 |
| 11 (CH) | 75.1 |
| 12 (CH) | 69.6 |
| 13 (CH) | 119.6 |
| 14 (C) | 140.5 |
| 15 (CH3) | 17.4 |
| 16 (CH3) | 24.6 |
| 17 (CH) | 140 |
| 18 (CH) | 91 |
| 19 (CH2) | 113.5 |
| 20 (CH3) | 15.1 |
| 11a (C) | 170.3 |
| 11b (CH3) | 19.8 |
| 12a (C) | 170 |
| 12b (CH3) | 19.5 |
| 18a (C) | 169.6 |
| 18b (CH3) | 19.4 |
