Spektraris NMR
Dymacrin G
Common Name: Dymacrin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(23(31)13-15-26(2,3)33)20-11-17-30(8)22-9-10-24-27(4,5)25(32)14-16-28(24,6)21(22)12-18-29(20,30)7/h9,13,15,19-21,23-24,31,33H,10-12,14,16-18H2,1-8H3/b15-13+/t19-,20+,21+,23-,24+,28-,29+,30-/m1/s1
InChIKey: InChIKey=KMVPTTDRAOZZBU-PXEFOSHASA-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) | 38.7 |
| 2 (CH2) | 35.2 |
| 3 (C) | 216 |
| 4 (C) | 48.1 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 24.5 |
| 7 (CH) | 118.1 |
| 8 (C) | 146 |
| 9 (CH) | 48.6 |
| 10 (C) | 35.1 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 33.7 |
| 13 (C) | 43.6 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 22 |
| 19 (CH3) | 12.9 |
| 20 (CH) | 41.8 |
| 21 (CH3) | 11.8 |
| 22 (CH) | 73.6 |
| 23 (CH) | 129.8 |
| 24 (CH) | 137.8 |
| 25 (C) | 70.9 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 30.1 |
| 28 (CH3) | 24.7 |
| 29 (CH3) | 21.8 |
| 30 (CH3) | 27.7 |
