Spektraris NMR
Isodoglutinosin B
Common Name: Isodoglutinosin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17(2)6-5-15(22)18(3)14(17)4-7-19-9-12-8-13(16(18)19)23-20(12,10-19)11-21/h12-16,21-22H,4-11H2,1-3H3/t12-,13+,14-,15+,16+,18+,19+,20+/m1/s1
InChIKey: InChIKey=AIBLHAHWWHPWAB-AJHBJYRYSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Huang, H., Chen, Y.P., Zhang, H.J., Lin, Z.W., Zhao, S.X., Wang, M.S., Fujita, T., Sun, H.D. Phytochemistry (1997) 45, 559-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 80.9 |
| 2 (CH2) | 29.7 |
| 3 (CH2) | 40.1 |
| 4 (C) | 33.1 |
| 5 (CH) | 56 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 38.9 |
| 8 (C) | 43.8 |
| 9 (CH) | 61.1 |
| 10 (C) | 46 |
| 11 (CH) | 80.1 |
| 12 (CH2) | 44.2 |
| 13 (CH) | 43 |
| 14 (CH2) | 40.8 |
| 15 (CH2) | 53.9 |
| 16 (C) | 89.5 |
| 17 (CH2) | 65.9 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 13.5 |
