Spektraris NMR
Xerophilusin IV
Common Name: Xerophilusin IV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-10-11-4-5-12-18-7-3-6-17(2,8-21)13(18)16(24)20(25,26-9-18)19(12,14(10)22)15(11)23/h11-13,15-16,21,23-25H,1,3-9H2,2H3/t11-,12-,13+,15+,16-,17-,18+,19-,20-/m0/s1
InChIKey: InChIKey=HSNHHKCWUXSXSA-IZZIWLOZSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
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) | 31 |
| 2 (CH2) | 19 |
| 3 (CH2) | 35.9 |
| 4 (C) | 36.6 |
| 5 (CH) | 61.5 |
| 6 (CH) | 73.1 |
| 7 (C) | 98.6 |
| 8 (C) | 62.7 |
| 9 (CH) | 52.8 |
| 10 (C) | 38.9 |
| 11 (CH2) | 16.9 |
| 12 (CH2) | 30.2 |
| 13 (CH) | 43.8 |
| 14 (CH) | 73.5 |
| 15 (C) | 208.7 |
| 16 (C) | 153 |
| 17 (CH2) | 119.6 |
| 18 (CH3) | 28.2 |
| 19 (CH2) | 64.5 |
| 20 (CH2) | 67.2 |
