Spektraris NMR
iso-GTX-II
Common Name: iso-GTX-II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h12-16,21-25H,5-9H2,1-4H3/t12-,13+,14+,15-,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=LLNZGRNLXLQFAC-KLKQSVAXSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Terai, T., Osakabe, K., Katai, M., Sakaguchi, K., Narama, I., Matsuura, T., Katakawa, J., Tetsumi, T. Chem Pharm Bull (2003) 51, 351-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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) | 44.4 |
| 2 (CH2) | 37 |
| 3 (CH) | 80.5 |
| 4 (C) | 48.8 |
| 5 (C) | 85.1 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 41.2 |
| 8 (C) | 56.7 |
| 9 (C) | 124.4 |
| 10 (C) | 137.4 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 53.6 |
| 14 (CH) | 88.1 |
| 15 (CH2) | 58.7 |
| 16 (C) | 82.2 |
| 17 (CH3) | 24 |
| 18 (CH3) | 24.3 |
| 19 (CH3) | 17.7 |
| 20 (CH3) | 20.4 |
