Spektraris NMR
Myricetrione
Common Name: Myricetrione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-25(2)14-19-28(6)12-17(32)24-27(5)10-9-20(33)26(3,4)23(27)16(31)13-30(24,8)18(28)11-21(34)29(19,7)15-22(25)35/h11,16-17,19,23-24,31-32H,9-10,12-15H2,1-8H3/t16-,17+,19-,23-,24+,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=XUTQPHXQIAVXGA-JBRIXDRLSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tao, J., Morikawa, T., Toguchida, I., Ando, S., Matsuda, H., Yoshikawa, M. Bioorg Med Chem (2002) 10, 4005-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 33.6 |
| 2 (CH2) | 38.9 |
| 3 (C) | 218.6 |
| 4 (C) | 47.9 |
| 5 (CH) | 59.2 |
| 6 (CH) | 66.4 |
| 7 (CH2) | 50.2 |
| 8 (C) | 40.3 |
| 9 (CH) | 55.5 |
| 10 (C) | 39.8 |
| 11 (CH) | 64.7 |
| 12 (CH2) | 43.1 |
| 13 (C) | 37.9 |
| 14 (C) | 175.8 |
| 15 (CH) | 118.4 |
| 16 (C) | 203.5 |
| 17 (C) | 46.5 |
| 18 (CH) | 46.4 |
| 19 (CH2) | 36.8 |
| 20 (C) | 42.5 |
| 21 (C) | 217.4 |
| 22 (CH2) | 45.4 |
| 23 (CH3) | 32 |
| 24 (CH3) | 20.7 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 28.9 |
| 28 (CH3) | 33.3 |
| 29 (CH3) | 28.4 |
| 30 (CH3) | 24.4 |
