Spektraris NMR
Dymacrin J
Common Name: Dymacrin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(15-21(31)25-27(4,5)34-25)18-11-13-29(7)19-9-10-22-26(2,3)23(32)16-24(33)30(22,8)20(19)12-14-28(18,29)6/h9,17-18,20-22,24-25,31,33H,10-16H2,1-8H3/t17-,18-,20-,21+,22-,24+,25-,28-,29+,30+/m0/s1
InChIKey: InChIKey=YJSAPNKBVVFSRZ-WHBDETRASA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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 (CH) | 77.6 |
| 2 (CH2) | 45.2 |
| 3 (C) | 213.3 |
| 4 (C) | 48.2 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 24.5 |
| 7 (CH) | 118.1 |
| 8 (C) | 145.9 |
| 9 (CH) | 48.5 |
| 10 (C) | 35.8 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 34.1 |
| 13 (C) | 43.3 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 22 |
| 19 (CH3) | 7.7 |
| 20 (CH) | 33.8 |
| 21 (CH3) | 20.1 |
| 22 (CH2) | 40.9 |
| 23 (CH) | 69.5 |
| 24 (CH) | 68.7 |
| 25 (C) | 60.5 |
| 26 (CH3) | 20 |
| 27 (CH3) | 25.5 |
| 28 (CH3) | 24.4 |
| 29 (CH3) | 21.2 |
| 30 (CH3) | 27.6 |
