Spektraris NMR
Euscaphic acid methyl ester
Common Name: Euscaphic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18-,20-,21+,22-,23-,24-,27+,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=RQWXHGLRDYGNGZ-VFBRRWPOSA-N
Formula: C31H50O5
Molecular Weight: 502.726875
Exact Mass: 502.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, S.S., Shy, S.N., Liu, K.C.S. Phytochemistry (1997) 46, 549-54
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 41.7 |
| 2 (CH) | 66.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.3 |
| 5 (CH) | 48.1 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 32.6 |
| 8 (C) | 40.2 |
| 9 (CH) | 46.9 |
| 10 (C) | 38.2 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 129.1 |
| 13 (C) | 138.2 |
| 14 (C) | 41.3 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 25.5 |
| 17 (C) | 47.9 |
| 18 (CH) | 53.2 |
| 19 (C) | 73.1 |
| 20 (CH) | 41.1 |
| 21 (CH2) | 26 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 16.21 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 24.7 |
| 28 (C) | 178.4 |
| 29 (CH3) | 27.4 |
| 30 (CH3) | 16.1 |
| 28a (CH3) | 51.5 |
