Spektraris NMR
Xanthanthusin I
Common Name: Xanthanthusin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O7/c1-11-8-24(11)20(29)17-15(27)7-16-22(4,5)9-14(30-12(2)25)10-23(16,6)18(17)19(28)21(24)31-13(3)26/h7,11,14,21H,8-10H2,1-6H3/t11?,14-,21-,23-,24+/m0/s1
InChIKey: InChIKey=RIMOEXSULIWFOY-XOQKNIHFSA-N
Formula: C24H28O7
Molecular Weight: 428.475837
Exact Mass: 428.183503
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) | 35.1 |
| 2 (CH) | 66.9 |
| 3 (CH2) | 41 |
| 4 (C) | 34.8 |
| 5 (C) | 139.3 |
| 6 (CH) | 145.8 |
| 7 (C) | 176.8 |
| 8 (C) | 130.5 |
| 9 (C) | 161.5 |
| 10 (C) | 40.7 |
| 11 (C) | 194.7 |
| 12 (CH) | 77.3 |
| 13 (C) | 34.3 |
| 14 (C) | 190.4 |
| 15 (CH) | 22.3 |
| 16 (CH2) | 25.6 |
| 17 (CH3) | 12.6 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 26.2 |
| 20 (CH3) | 29.1 |
| 2a (C) | 169.9 |
| 2b (CH3) | 20.1 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21 |
