Spektraris NMR
Tricalysiolide D
Common Name: Tricalysiolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-19-7-6-16-14(9-18(23)25-16)15(19)5-8-20-10-13(3-4-17(19)20)21(11-20,12-22)24-2/h9,13,15-17,22H,3-8,10-12H2,1-2H3/t13-,15-,16-,17+,19-,20+,21+/m1/s1
InChIKey: InChIKey=CIPFLUJOTRDADP-YIDYBPOGSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
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) | 35.9 |
| 2 (CH2) | 29.9 |
| 3 (CH) | 81.4 |
| 4 (C) | 175 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 22 |
| 7 (CH2) | 40.2 |
| 8 (C) | 44.2 |
| 9 (CH) | 53.5 |
| 10 (C) | 42.9 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 26 |
| 13 (CH) | 42 |
| 14 (CH2) | 37.7 |
| 15 (CH2) | 49.8 |
| 16 (C) | 87.3 |
| 17 (CH2) | 60.9 |
| 18 (CH) | 111.4 |
| 19 (C) | 173.7 |
| 20 (CH3) | 14.7 |
| 16a (CH3) | 49.3 |
