Spektraris NMR
Gelomulide U
Common Name: Gelomulide U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O6/c1-11-17-13(28-19(11)25)10-15-21(5)14(6-9-22(15,26)18(17)24)20(3,4)8-7-16(21)27-12(2)23/h7-8,13-16,18,24,26H,6,9-10H2,1-5H3/t13-,14-,15+,16-,18+,21-,22+/m1/s1
InChIKey: InChIKey=LQBVAPXSEOYEIN-VPBOCMBTSA-N
Formula: C22H30O6
Molecular Weight: 390.470842
Exact Mass: 390.204239
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Lee, C.L., Chang, F.R., Hsieh, P.W., Chiang, M.Y., Wu, C.C., Huang, Z.Y., Lan, Y.H., Chen, M., Lee, K.H., Yen, H.F., Hung, W.C., Wu, Y.C. Phytochemistry (2008) 69, 276-87
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 72.2 |
| 2 (CH) | 120.4 |
| 3 (CH) | 143.4 |
| 4 (C) | 35.3 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 22 |
| 7 (CH2) | 42.3 |
| 8 (C) | 74.6 |
| 9 (CH) | 46.5 |
| 10 (C) | 41.7 |
| 11 (CH2) | 29.6 |
| 12 (CH) | 77.4 |
| 13 (C) | 164.7 |
| 14 (CH) | 73 |
| 15 (C) | 121.8 |
| 16 (C) | 175.1 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 18.1 |
| 1a (C) | 170.1 |
| 1b (CH3) | 20.8 |
