Spektraris NMR
Xanthanthusin G
Common Name: Xanthanthusin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O9/c1-12(2)34-13(3)9-17-20(30)18-19(24(21(17)31)36-15(5)29)27(8)11-16(35-14(4)28)10-26(6,7)25(27)23(33)22(18)32/h12-13,16,30-31,33H,9-11H2,1-8H3/t13?,16-,27+/m0/s1
InChIKey: InChIKey=QIAMFIJMBWZPBO-PDLOUIDQSA-N
Formula: C27H36O9
Molecular Weight: 504.570381
Exact Mass: 504.235933
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 : Lanugons; 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) | 38 |
| 2 (CH) | 68.5 |
| 3 (CH2) | 41.7 |
| 4 (C) | 36 |
| 5 (C) | 141.4 |
| 6 (C) | 140.4 |
| 7 (C) | 182.3 |
| 8 (C) | 105.1 |
| 9 (C) | 143.1 |
| 10 (C) | 40.8 |
| 11 (C) | 130.5 |
| 12 (C) | 156.4 |
| 13 (C) | 112.4 |
| 14 (C) | 159.9 |
| 15 (CH2) | 30.8 |
| 16 (CH) | 74.2 |
| 17 (CH3) | 19 |
| 18 (CH3) | 28 |
| 19 (CH3) | 27.2 |
| 20 (CH3) | 29.1 |
| 2a (C) | 168.4 |
| 2b (CH3) | 20.9 |
| 11a (C) | 170.2 |
| 11b (CH3) | 21.3 |
| 16a (CH) | 70.1 |
| 16b (CH3) | 23.3 |
| 16c (CH3) | 21.1 |
