Spektraris NMR
9a -Hydroxy GTX-II
Common Name: 9a -Hydroxy GTX-II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-10-12-7-13(21)16(2,3)20(12,26)14(22)8-18-9-17(4,24)11(15(18)23)5-6-19(10,18)25/h11-15,21-26H,1,5-9H2,2-4H3/t11-,12+,13+,14-,15-,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=YPBCVQCSCGTZRI-UWRKIHAJSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
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) | 42.7 |
| 2 (CH2) | 38.6 |
| 3 (CH) | 81.6 |
| 4 (C) | 50.6 |
| 5 (C) | 83.6 |
| 6 (CH) | 69.2 |
| 7 (CH2) | 35.3 |
| 8 (C) | 56.6 |
| 9 (C) | 78.8 |
| 10 (C) | 152.8 |
| 11 (CH2) | 31.8 |
| 12 (CH2) | 23.6 |
| 13 (CH) | 53.1 |
| 14 (CH) | 81.4 |
| 15 (CH2) | 49.4 |
| 16 (C) | 81.4 |
| 17 (CH3) | 24.9 |
| 18 (CH3) | 24.6 |
| 19 (CH3) | 18.9 |
| 20 (CH2) | 112.4 |
