Spektraris NMR
Xanthanthusin K
Common Name: Xanthanthusin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O6/c1-10-9-22(10)17(26)14-16(25)15(24)13-12(7-6-8-20(13,3)4)21(14,5)18(27)19(22)28-11(2)23/h6-7,10,19,25H,8-9H2,1-5H3/t10?,19-,21-,22+/m0/s1
InChIKey: InChIKey=ABTOGHSSQRRREB-VRLPDWETSA-N
Formula: C22H24O6
Molecular Weight: 384.423197
Exact Mass: 384.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mei, S.X., Jiang, B., Niu, X.M., Li, M.L., Yang, H., Na, Z., Lin, Z.W., Li, C.M., Sun, H.D. J Nat Prod (2002) 65, 633-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Coleons; 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) | 124.2 |
| 2 (CH) | 135.3 |
| 3 (CH2) | 40.7 |
| 4 (C) | 33.3 |
| 5 (C) | 137.2 |
| 6 (C) | 179.5 |
| 7 (C) | 155.7 |
| 8 (C) | 117.4 |
| 9 (C) | 51.1 |
| 10 (C) | 148.9 |
| 11 (C) | 199.1 |
| 12 (CH) | 77.6 |
| 13 (C) | 35.1 |
| 14 (C) | 199.7 |
| 15 (CH) | 21 |
| 16 (CH2) | 30.4 |
| 17 (CH3) | 14.1 |
| 18 (CH3) | 27 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 28 |
| 12a (C) | 169.8 |
| 12b (CH3) | 20.2 |
