Spektraris NMR
Gelomulide X
Common Name: Gelomulide X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-15-11(25-17(10)23)9-13-19(4)12(5-8-20(13,24)16(15)22)18(2,3)7-6-14(19)21/h6-7,11-14,16,21-22,24H,5,8-9H2,1-4H3/t11-,12-,13+,14-,16+,19-,20+/m1/s1
InChIKey: InChIKey=IVCGFOIEZRIEQF-MEPYEAESSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 69.5 |
| 2 (CH) | 125.7 |
| 3 (CH) | 139.9 |
| 4 (C) | 35.4 |
| 5 (CH) | 44.8 |
| 6 (CH2) | 22.2 |
| 7 (CH2) | 42.7 |
| 8 (C) | 74.9 |
| 9 (CH) | 46 |
| 10 (C) | 43 |
| 11 (CH2) | 29.9 |
| 12 (CH) | 78 |
| 13 (C) | 165.4 |
| 14 (CH) | 73.2 |
| 15 (C) | 121.5 |
| 16 (C) | 175.3 |
| 17 (CH3) | 8.5 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 23 |
| 20 (CH3) | 18.6 |
