Spektraris NMR
Dymacrin A
Common Name: Dymacrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(2)16-23(32)26(34)19(3)20-10-14-30(7)22-8-9-24-27(4,21(22)11-15-29(20,30)6)13-12-25(33)28(24,5)17-31/h8,16,19-21,24,26,31,34H,9-15,17H2,1-7H3/t19-,20+,21+,24-,26+,27-,28-,29+,30-/m1/s1
InChIKey: InChIKey=IHPHSDWTJJCKOC-YFECIQLZSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
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) | 37.7 |
| 2 (CH2) | 35.7 |
| 3 (C) | 216.4 |
| 4 (C) | 53.4 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 118.1 |
| 8 (C) | 146.1 |
| 9 (CH) | 48.4 |
| 10 (C) | 35.1 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 33.5 |
| 13 (C) | 43.4 |
| 14 (C) | 51.5 |
| 15 (CH2) | 34.1 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 13.6 |
| 20 (CH) | 39.6 |
| 21 (CH3) | 12.1 |
| 22 (CH) | 78.9 |
| 23 (C) | 201.4 |
| 24 (CH) | 119.2 |
| 25 (C) | 159.7 |
| 26 (CH3) | 28.2 |
| 27 (CH3) | 21.5 |
| 28 (CH3) | 20.6 |
| 29 (CH2) | 65.8 |
| 30 (CH3) | 27.7 |
