Spektraris NMR
Xerophilusin IX
Common Name: Xerophilusin IX
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O7/c1-8-9-6-10(21)12-18-5-4-11(22)17(2,3)13(18)16(25)20(26,27-7-18)19(12,14(8)23)15(9)24/h9-13,15-16,21-22,24-26H,1,4-7H2,2-3H3/t9-,10-,11+,12-,13+,15+,16-,18+,19-,20-/m0/s1
InChIKey: InChIKey=NZZUEFKKZKOFNX-USXQFRKESA-N
Formula: C20H28O7
Molecular Weight: 380.432894
Exact Mass: 380.183503
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) | 29.1 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 77.7 |
| 4 (C) | 40.6 |
| 5 (CH) | 61.9 |
| 6 (CH) | 73.6 |
| 7 (C) | 98.7 |
| 8 (C) | 62.9 |
| 9 (CH) | 59.2 |
| 10 (C) | 37.8 |
| 11 (CH) | 61 |
| 12 (CH2) | 42 |
| 13 (CH) | 44.4 |
| 14 (CH) | 73.8 |
| 15 (C) | 209.3 |
| 16 (C) | 152.5 |
| 17 (CH2) | 119.4 |
| 18 (CH3) | 29.3 |
| 19 (CH3) | 16.4 |
| 20 (CH2) | 67.4 |
