Spektraris NMR
Gelomulide I
Common Name: Gelomulide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-9-15-10(26-17(9)24)7-12-19(4)11(5-6-20(12,25)16(15)23)18(2,3)13(21)8-14(19)22/h10-13,16,21,23,25H,5-8H2,1-4H3/t10-,11-,12+,13+,16+,19+,20+/m1/s1
InChIKey: InChIKey=HIJNWAUJRBKZHT-KPXUVONRSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Talapatra, B., Das, G., Das, A.K., Biswas, K., Talapatra, S.K. Phytochemistry (1998) 49, 1353-9
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) | 216 |
| 2 (CH2) | 43.9 |
| 3 (CH) | 80.1 |
| 4 (C) | 39 |
| 5 (CH) | 51.1 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 42.3 |
| 8 (C) | 75.9 |
| 9 (CH) | 48.7 |
| 10 (C) | 54.4 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 78.9 |
| 13 (C) | 164.8 |
| 14 (CH) | 73.5 |
| 15 (C) | 122.8 |
| 16 (C) | 177.2 |
| 17 (CH3) | 8.3 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 22.7 |
| 20 (CH3) | 16.9 |
