Spektraris NMR
Kuhistaferone
Common Name: Kuhistaferone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-13(2)22-12-11-21(4,10-9-14(3)23)18(22)17(20(26)28-22)27-19(25)15-5-7-16(24)8-6-15/h5-8,13,17-18,20,24,26H,9-12H2,1-4H3/t17-,18?,20-,21+,22-/m1/s1
InChIKey: InChIKey=NXAOPHXQGPBAHR-OEXQSEKGSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tamemoto, K., Takaishi, Y., Kawazoe, K., Honda, G., Ito, M., Kiuchi, F., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O., Shimizu, K., Nagasawa, H., Uto, Y., Hori, H. J Nat Prod (2002) 65, 1323-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) | 44.7 |
| 2 (CH2) | 40.4 |
| 3 (CH2) | 32.5 |
| 4 (C) | 100.4 |
| 5 (CH) | 54.7 |
| 6 (CH) | 82.3 |
| 7 (CH) | 101.3 |
| 8 (CH3) | 29.9 |
| 9 (C) | 210.1 |
| 10 (CH2) | 39.5 |
| 11 (CH2) | 36 |
| 12 (CH) | 36 |
| 13 (CH3) | 17.6 |
| 14 (CH3) | 18.4 |
| 15 (CH3) | 21.9 |
| 6a (C) | 166.4 |
| 6b (C) | 121.3 |
| 6c (CH) | 133.2 |
| 6d (CH) | 115.6 |
| 6e (C) | 161 |
| 6f (CH) | 115.6 |
| 6g (CH) | 133.2 |
