Spektraris NMR
Trigonoside I
Common Name: Trigonoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O9/c1-29(2)22(38)8-11-35-17-34(35)13-12-31(5)26(33(7)10-9-23(44-33)30(3,4)41)18(36)15-32(31,6)21(34)14-20(27(29)35)43-28-25(40)24(39)19(37)16-42-28/h18-28,36-41H,8-17H2,1-7H3/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27-,28-,31+,32-,33+,34-,35+/m0/s1
InChIKey: InChIKey=OJJOKIYYVVEUJP-DLVCFKCCSA-N
Formula: C35H58O9
Molecular Weight: 622.830964
Exact Mass: 622.408083
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.55 |
| 2 (CH2) | 31.23 |
| 3 (CH) | 78.35 |
| 4 (C) | 42.59 |
| 5 (CH) | 52.38 |
| 6 (CH) | 78.8 |
| 7 (CH2) | 34.33 |
| 8 (CH) | 45.17 |
| 9 (C) | 21.33 |
| 10 (C) | 29.23 |
| 11 (CH2) | 26.53 |
| 12 (CH2) | 33.67 |
| 13 (C) | 45.4 |
| 14 (C) | 46.07 |
| 15 (CH2) | 46.44 |
| 16 (CH) | 73.67 |
| 17 (CH) | 58.4 |
| 18 (CH3) | 21.05 |
| 19 (CH2) | 28.1 |
| 20 (C) | 87.62 |
| 21 (CH3) | 28.86 |
| 22 (CH2) | 36.16 |
| 23 (CH2) | 26.68 |
| 24 (CH) | 81.94 |
| 25 (C) | 71.58 |
| 26 (CH3) | 28.31 |
| 27 (CH3) | 27.26 |
| 28 (CH3) | 28.99 |
| 29 (CH3) | 16.47 |
| 30 (CH3) | 20.02 |
| 1' (CH) | 105.82 |
| 2' (CH) | 75.45 |
| 3' (CH) | 78.55 |
| 4' (CH) | 71.19 |
| 5' (CH2) | 67.12 |
