Spektraris NMR
Xanthanthusin J
Common Name: Xanthanthusin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O8/c1-10-8-24(10)19(29)16-18(28)17(27)15-14(7-13(31-11(2)25)9-22(15,4)5)23(16,6)20(30)21(24)32-12(3)26/h10,13,21,28H,7-9H2,1-6H3/t10?,13-,21+,23+,24-/m1/s1
InChIKey: InChIKey=XVQBITVGCMDUAS-SBQHANAMSA-N
Formula: C24H28O8
Molecular Weight: 444.475242
Exact Mass: 444.178418
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 (CH2) | 33.9 |
| 2 (CH) | 66.9 |
| 3 (CH2) | 45.4 |
| 4 (C) | 36.5 |
| 5 (C) | 139.9 |
| 6 (C) | 188.1 |
| 7 (C) | 153.3 |
| 8 (C) | 120.3 |
| 9 (C) | 52.1 |
| 10 (C) | 152 |
| 11 (C) | 198.9 |
| 12 (CH) | 78.4 |
| 13 (C) | 35.3 |
| 14 (C) | 199.7 |
| 15 (CH) | 21.2 |
| 16 (CH2) | 29.4 |
| 17 (CH3) | 13.8 |
| 18 (CH3) | 28.8 |
| 19 (CH3) | 27.4 |
| 20 (CH3) | 29.9 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.3 |
| 12a (C) | 169.9 |
| 12b (CH3) | 20.2 |
