Spektraris NMR
Xerophilusin III
Common Name: Xerophilusin III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O7/c1-9-10-3-4-11-18-8-27-20(26,19(11,14(9)23)15(10)24)16(25)13(18)17(2,7-21)6-5-12(18)22/h10-13,15-16,21-22,24-26H,1,3-8H2,2H3/t10-,11-,12+,13+,15+,16-,17-,18+,19-,20-/m0/s1
InChIKey: InChIKey=FZOFIVYXNKRMRA-QDQWCKSISA-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 (CH) | 65.1 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 28.2 |
| 4 (C) | 39.1 |
| 5 (CH) | 56.6 |
| 6 (CH) | 73.4 |
| 7 (C) | 99 |
| 8 (C) | 62.4 |
| 9 (CH) | 48.4 |
| 10 (C) | 41.3 |
| 11 (CH2) | 16.5 |
| 12 (CH2) | 30.4 |
| 13 (CH) | 44 |
| 14 (CH) | 73.9 |
| 15 (C) | 209.3 |
| 16 (C) | 153.1 |
| 17 (CH2) | 119.5 |
| 18 (CH3) | 28.4 |
| 19 (CH2) | 65.1 |
| 20 (CH2) | 67 |
