Spektraris NMR
Xerophilusin VII
Common Name: Xerophilusin VII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O9/c1-9-11-4-5-12-20-8-31-22(29,21(12,16(9)26)17(11)27)18(28)15(20)19(3,7-30-10(2)23)13(24)6-14(20)25/h11-15,17-18,24-25,27-29H,1,4-8H2,2-3H3/t11-,12-,13+,14+,15+,17+,18-,19+,20+,21-,22-/m0/s1
InChIKey: InChIKey=BKTVHCJQIOTFPT-QZYZGJEZSA-N
Formula: C22H30O9
Molecular Weight: 438.469057
Exact Mass: 438.188983
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) | 66.8 |
| 2 (CH2) | 31.3 |
| 3 (CH) | 71.4 |
| 4 (C) | 43.1 |
| 5 (CH) | 51.8 |
| 6 (CH) | 73.4 |
| 7 (C) | 98.9 |
| 8 (C) | 62.3 |
| 9 (CH) | 48.1 |
| 10 (C) | 41.9 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 30.2 |
| 13 (CH) | 44 |
| 14 (CH) | 74 |
| 15 (C) | 209.5 |
| 16 (C) | 152.8 |
| 17 (CH2) | 119.7 |
| 18 (CH3) | 22.2 |
| 19 (CH2) | 67.4 |
| 20 (CH2) | 66.5 |
| 19a (C) | 170.8 |
| 19b (CH3) | 20.7 |
