Spektraris NMR
alpha-Elemolic acid methyl ester
Common Name: alpha-Elemolic acid methyl ester
Synonyms: alpha-Elemolic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-20(2)10-9-11-21(27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h10,21-22,25-26,32H,9,11-19H2,1-8H3/t21-,22-,25-,26+,29+,30-,31+/m0/s1
InChIKey: InChIKey=DZGFGFULCQNZTI-ZOCRTITISA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, Y., Abreu, P. Phytochemistry (2006) 67, 1309-15
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) | 31 |
| 2 (CH2) | 25.9 |
| 3 (CH) | 76 |
| 4 (C) | 37.7 |
| 5 (CH) | 44.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 26.2 |
| 8 (C) | 133.2 |
| 9 (C) | 134.5 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 29.9 |
| 13 (C) | 44.4 |
| 14 (C) | 50 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 29.8 |
| 17 (CH) | 46.4 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 20 |
| 20 (CH) | 49 |
| 21 (C) | 176.8 |
| 22 (CH2) | 31.7 |
| 23 (CH2) | 26.6 |
| 24 (CH) | 123.8 |
| 25 (C) | 132.6 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 28.1 |
| 29 (CH3) | 22.3 |
| 30 (CH3) | 24.5 |
| 21a (CH3) | 51.1 |
