Spektraris NMR
Tricalysiolide H
Common Name: Tricalysiolide H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-18-7-8-20(10-16(25-2)26-17(20)23)15(18)5-6-19-9-13(3-4-14(18)19)21(24,11-19)12-22/h13-16,22,24H,3-12H2,1-2H3/t13-,14+,15+,16+,18+,19+,20-,21+/m1/s1
InChIKey: InChIKey=JGJQQOVNDDCZBN-ADGKCSTMSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nishimura, K., Hitotsuyanagi, Y., Sakakura, K.I., Fujita, K., Tachihara, S., Fukaya, H., Aoyagi, Y., Hasuda, T., Kinoshita, T., Takeya, K. Tetrahedron (2007) 63, 4558-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 41.6 |
| 2 (CH2) | 38.9 |
| 3 (C) | 183 |
| 4 (C) | 50.6 |
| 5 (CH) | 57.9 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 41.4 |
| 8 (C) | 44.3 |
| 9 (CH) | 54.9 |
| 10 (C) | 47.8 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 46.2 |
| 14 (CH2) | 37.9 |
| 15 (CH2) | 53.2 |
| 16 (C) | 81.5 |
| 17 (CH2) | 66.4 |
| 18 (CH2) | 40.9 |
| 19 (CH) | 103.7 |
| 20 (CH3) | 17.4 |
| 19a (CH3) | 56.8 |
