Spektraris NMR
Gelomulide K
Common Name: Gelomulide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-11-17-13(26-19(11)24)10-15-21(5)14(6-9-22(15)18(17)27-22)20(3,4)8-7-16(21)25-12(2)23/h7-8,13-16,18H,6,9-10H2,1-5H3/t13-,14-,15+,16-,18-,21-,22+/m1/s1
InChIKey: InChIKey=IWHCUIYQYFOMEF-FBERYXRISA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
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) | 71.3 |
| 2 (CH) | 119.8 |
| 3 (CH) | 143.5 |
| 4 (C) | 35.1 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 34.4 |
| 8 (C) | 61.4 |
| 9 (CH) | 39.8 |
| 10 (C) | 41.9 |
| 11 (CH2) | 24 |
| 12 (CH) | 75.7 |
| 13 (C) | 156.4 |
| 14 (CH) | 55.8 |
| 15 (C) | 128.1 |
| 16 (C) | 174 |
| 17 (CH3) | 8.7 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 17.8 |
| 1a (C) | 170.1 |
| 1b (CH3) | 20.8 |
