Spektraris NMR
Gelomulide W
Common Name: Gelomulide W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-9-15-10(26-17(9)24)7-12-19(4)11(18(2,3)6-5-13(19)21)8-14(22)20(12,25)16(15)23/h5-6,10-12,14,16,22-23,25H,7-8H2,1-4H3/t10-,11-,12+,14+,16+,19-,20-/m1/s1
InChIKey: InChIKey=KBGPZSQCJGHHHR-OQNGKJEISA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
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 (C) | 206.3 |
| 2 (CH) | 124.4 |
| 3 (CH) | 155.7 |
| 4 (C) | 36.2 |
| 5 (CH) | 41.1 |
| 6 (CH2) | 29.1 |
| 7 (CH) | 72.3 |
| 8 (C) | 76.1 |
| 9 (CH) | 43.9 |
| 10 (C) | 49.3 |
| 11 (CH2) | 32.8 |
| 12 (CH) | 78 |
| 13 (C) | 164.2 |
| 14 (CH) | 70.9 |
| 15 (C) | 121.5 |
| 16 (C) | 175.1 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 30.9 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 17.8 |
