Spektraris NMR
Xerophilusins K
Common Name: Xerophilusins K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-10-12-8-13(29-11(2)23)14-20-7-5-6-19(3,4)15(20)18(26)22(27,28-9-20)21(14,16(10)24)17(12)25/h12-15,17-18,25-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,17+,18-,20+,21-,22-/m0/s1
InChIKey: InChIKey=PIEODUHIXJYOBG-VPKUEDJQSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hou, A.J., Zhao, Q.S., Li, M.L., Jiang, B., Lin, Z.W., Sun, H.D., Zhou, Y.P., Lu, Y., Zheng, Q.T. Phytochemistry (2001) 58, 179-83
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) | 29.2 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 41.3 |
| 4 (C) | 34.1 |
| 5 (CH) | 60.8 |
| 6 (CH) | 73.7 |
| 7 (C) | 98.3 |
| 8 (C) | 62.1 |
| 9 (CH) | 54.8 |
| 10 (C) | 37.9 |
| 11 (CH) | 64.7 |
| 12 (CH2) | 37.4 |
| 13 (CH) | 43.7 |
| 14 (CH) | 73.7 |
| 15 (C) | 208.2 |
| 16 (C) | 151.4 |
| 17 (CH2) | 120.6 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 22.4 |
| 20 (CH2) | 66.8 |
| 11a (C) | 169.9 |
| 11b (CH3) | 21.2 |
