Spektraris NMR
Xerophilusin I
Common Name: Xerophilusin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-9-10-7-11(22)13-19(8-21)6-4-5-18(2,3)14(19)12(23)17(26)20(13,15(9)24)16(10)25/h8,10-11,13-14,16-17,22,25-26H,1,4-7H2,2-3H3/t10-,11-,13-,14+,16+,17-,19+,20-/m0/s1
InChIKey: InChIKey=CRZJSWRUECBJFZ-KLWBOKAJSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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) | 34.3 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 41.7 |
| 4 (C) | 32.4 |
| 5 (CH) | 54.9 |
| 6 (C) | 210.3 |
| 7 (CH) | 76.3 |
| 8 (C) | 60.4 |
| 9 (CH) | 59.8 |
| 10 (C) | 58.7 |
| 11 (CH) | 63.8 |
| 12 (CH2) | 38.3 |
| 13 (CH) | 46.6 |
| 14 (CH) | 75.4 |
| 15 (C) | 208.3 |
| 16 (C) | 149.9 |
| 17 (CH2) | 115.1 |
| 18 (CH3) | 30.9 |
| 19 (CH3) | 21 |
| 20 (CH) | 204.9 |
