Spektraris NMR
Tricalysiolide C
Common Name: Tricalysiolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-18-7-8-21(25-2)15(9-17(23)26-21)14(18)5-6-19-10-13(3-4-16(18)19)20(24,11-19)12-22/h9,13-14,16,22,24H,3-8,10-12H2,1-2H3/t13-,14-,16+,18-,19+,20+,21-/m1/s1
InChIKey: InChIKey=WGZVRWCVRXZGME-UYLSDMCMSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nishimura, K., Hitotsuyanagi, Y., Sugeta, N., Sakakura, K., Fujita, K., Fukaya, H., Aoyagi, Y., Hasuda, T., Kinoshita, T., He, D.H., Otsuka, H., Takeda, Y., Takeya, K. Tetrahedron (2006) 62, 1512-9
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 (CH2) | 35.6 |
| 2 (CH2) | 33.6 |
| 3 (C) | 107.3 |
| 4 (C) | 171.2 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 40.1 |
| 8 (C) | 44.5 |
| 9 (CH) | 53.6 |
| 10 (C) | 43.6 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 45.9 |
| 14 (CH2) | 38 |
| 15 (CH2) | 53.7 |
| 16 (C) | 81.5 |
| 17 (CH2) | 66.3 |
| 18 (CH) | 115.2 |
| 19 (C) | 170.5 |
| 20 (CH3) | 14.5 |
| 3a (CH3) | 49.9 |
