Spektraris NMR
Cyathic acid methyl ester
Common Name: Cyathic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O6/c1-20(2)23-13-15-32(7)17-18-33(8)24(29(23)32)11-12-26-34(9)25(14-16-35(26,33)30(38)39-10)31(5,6)27(40-21(3)36)19-28(34)41-22(4)37/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26+,27-,28+,29+,32+,33+,34-,35+/m0/s1
InChIKey: InChIKey=SAHIMZYEXORNBG-SWQFZBHPSA-N
Formula: C35H54O6
Molecular Weight: 570.800987
Exact Mass: 570.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ayer W.A., Flanagan R.J., Reffstrup T. Tetrahedron (1984) 40, 2069
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 78 |
| 2 (CH2) | 30 |
| 3 (CH) | 76.2 |
| 4 (C) | 37.7 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 30.4 |
| 8 (C) | 53.8 |
| 9 (CH) | 52.4 |
| 10 (C) | 42.5 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 36.7 |
| 14 (C) | 42.9 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 35.2 |
| 17 (C) | 42.7 |
| 18 (CH) | 48.4 |
| 19 (CH) | 47.8 |
| 20 (C) | 150.4 |
| 21 (CH2) | 30 |
| 22 (CH2) | 39.6 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 11.9 |
| 26 (C) | 175.9 |
| 27 (CH3) | 16 |
| 28 (CH3) | 17.8 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.3 |
| 1a (C) | 170.2 |
| 1b (CH3) | 21.7 |
| 3a (C) | 181.4 |
| 3b (CH3) | 21 |
| 26a (CH3) | 50.9 |
