Spektraris NMR
Dymacrin K
Common Name: Dymacrin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)15-20(31)16-19(3)21-9-14-30(8)26-22(10-13-29(21,30)7)28(6)12-11-25(33)27(4,5)24(28)17-23(26)32/h15,19-21,23-24,31-32H,9-14,16-17H2,1-8H3/t19-,20-,21-,23+,24-,28+,29-,30+/m0/s1
InChIKey: InChIKey=RJXSMALGDPXUIM-FHMQCUFFSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamad, K., Martin, M.T., Litaudon, M., Gaspard, C., Sevenet, T., Pais, M. Phytochemistry (1999) 52, 1461-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 34.9 |
| 2 (CH2) | 34.4 |
| 3 (C) | 217 |
| 4 (C) | 46.7 |
| 5 (CH) | 44.5 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 79.5 |
| 8 (C) | 131.4 |
| 9 (C) | 144 |
| 10 (C) | 38.1 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 30.9 |
| 13 (C) | 44.1 |
| 14 (C) | 50.1 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 28.5 |
| 17 (CH) | 51 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 18.8 |
| 20 (CH) | 34.1 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 44.6 |
| 23 (CH) | 67.4 |
| 24 (CH) | 128.5 |
| 25 (C) | 135.9 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 18.5 |
| 28 (CH3) | 21.3 |
| 29 (CH3) | 27.2 |
| 30 (CH3) | 26 |
