Spektraris NMR
Dymacrin I
Common Name: Dymacrin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(16-22(32)25-26(2,3)34-25)19-10-14-30(7)21-8-9-23-27(4,20(21)11-15-29(19,30)6)13-12-24(33)28(23,5)17-31/h8,18-20,22-23,25,31-32H,9-17H2,1-7H3/t18-,19-,20-,22+,23+,25-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=PGZNOTCKOHNROO-JVMXMESNSA-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 (CH2) | 37.6 |
| 2 (CH2) | 35.7 |
| 3 (C) | 216.4 |
| 4 (C) | 53.4 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 118.2 |
| 8 (C) | 146.6 |
| 9 (CH) | 48.4 |
| 10 (C) | 35.2 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 33.7 |
| 13 (C) | 43.4 |
| 14 (C) | 51.4 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 53.4 |
| 18 (CH3) | 22 |
| 19 (CH3) | 13.7 |
| 20 (CH) | 33.7 |
| 21 (CH3) | 20 |
| 22 (CH2) | 40.8 |
| 23 (CH) | 69.4 |
| 24 (CH) | 68.6 |
| 25 (C) | 61.5 |
| 26 (CH3) | 20 |
| 27 (CH3) | 25 |
| 28 (CH3) | 20.7 |
| 29 (CH2) | 65.9 |
| 30 (CH3) | 27.6 |
