Spektraris NMR
Xerophilusin X
Common Name: Xerophilusin X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-11-14-9-15(31-12(2)25)16-22-8-6-7-21(4,5)17(22)20(32-13(3)26)24(29,30-10-22)23(16,18(11)27)19(14)28/h14-20,27-29H,1,6-10H2,2-5H3/t14-,15-,16-,17+,18+,19+,20-,22+,23-,24-/m0/s1
InChIKey: InChIKey=MXUAEXLFUVYPMG-VIIUBADJSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, L.-M., Weng, Z.-Y., Huang, S.-X., Pu, J.-X., Li, S.-H., Huang, H., Yang, B.-B., Han, Y, Xiao, W.-L., Li, M.-L., Han, Q.-B., Sun, H.-D. J Nat Prod (2007) 70, 1295-301
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 29.2 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 40.7 |
| 4 (C) | 33.9 |
| 5 (CH) | 54.9 |
| 6 (CH) | 73.7 |
| 7 (C) | 97.3 |
| 8 (C) | 53.6 |
| 9 (CH) | 46.5 |
| 10 (C) | 37 |
| 11 (CH) | 64.2 |
| 12 (CH2) | 38.8 |
| 13 (CH) | 44.8 |
| 14 (CH) | 76.3 |
| 15 (CH) | 71.7 |
| 16 (C) | 156.1 |
| 17 (CH2) | 111.9 |
| 18 (CH3) | 32.1 |
| 19 (CH3) | 22.2 |
| 20 (CH2) | 66.6 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.4 |
| 11a (C) | 168.9 |
| 11b (CH3) | 21.4 |
