Spektraris NMR
Gelomulide A
Common Name: Gelomulide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-11-17-13(26-19(11)24)10-15-21(5)8-7-16(25-12(2)23)20(3,4)14(21)6-9-22(15)18(17)27-22/h13-16,18H,6-10H2,1-5H3/t13-,14-,15+,16+,18-,21-,22+/m1/s1
InChIKey: InChIKey=FEAJKDLCGUYWFP-YNWCVRRFSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
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 (CH2) | 33.8 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 77 |
| 4 (C) | 36.7 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 34.6 |
| 8 (C) | 60.9 |
| 9 (CH) | 48.7 |
| 10 (C) | 38.9 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 75.5 |
| 13 (C) | 155.5 |
| 14 (CH) | 56.1 |
| 15 (C) | 128.8 |
| 16 (C) | 174.2 |
| 17 (CH3) | 8.8 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 19.2 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.2 |
