Spektraris NMR
Xerophilusin XII
Common Name: Xerophilusin XII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15+,16-,17?,19+,20-,21-/m0/s1
InChIKey: InChIKey=XHYABSFBWXRDOI-IICKWCJQSA-N
Formula: C21H30O7
Molecular Weight: 394.459511
Exact Mass: 394.199153
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) | 30.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 41.6 |
| 4 (C) | 34.3 |
| 5 (CH) | 61.5 |
| 6 (CH) | 74.6 |
| 7 (C) | 99.7 |
| 8 (C) | 62.8 |
| 9 (CH) | 60.7 |
| 10 (C) | 40.6 |
| 11 (CH) | 63.5 |
| 12 (CH2) | 42.4 |
| 13 (CH) | 44.7 |
| 14 (CH) | 74.3 |
| 15 (C) | 210 |
| 16 (C) | 152.6 |
| 17 (CH2) | 119.5 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 22.7 |
| 20 (CH) | 103.7 |
| 20a (CH3) | 55.9 |
