Spektraris NMR
28-glucoside of tormentic acid
Common Name: 28-glucoside of tormentic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H58O10/c1-18-10-13-36(30(43)46-29-26(41)25(40)24(39)21(17-37)45-29)15-14-33(5)19(27(36)35(18,7)44)8-9-23-32(4)16-20(38)28(42)31(2,3)22(32)11-12-34(23,33)6/h8,18,20-29,37-42,44H,9-17H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1
InChIKey: InChIKey=MLKQAGPAYHTNQQ-BRDPIYJESA-N
Formula: C36H58O10
Molecular Weight: 650.841105
Exact Mass: 650.402998
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Durham, D.G., Liu, X.J., Richards, R.M.E. Phytochemistry (1994) 36, 1469-72
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) | 48.2 |
| 2 (CH) | 68.3 |
| 3 (CH) | 83.5 |
| 4 (C) | 38.2 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.1 |
| 8 (C) | 40.3 |
| 9 (CH) | 47.5 |
| 10 (C) | 39.5 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 128 |
| 13 (C) | 139 |
| 14 (C) | 41.8 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 26.4 |
| 17 (C) | 48.3 |
| 18 (CH) | 54.1 |
| 19 (C) | 72.3 |
| 20 (CH) | 41.8 |
| 21 (CH2) | 25.8 |
| 22 (CH2) | 38.4 |
| 23 (CH3) | 29 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 24.3 |
| 28 (C) | 176.7 |
| 29 (CH3) | 26.7 |
| 30 (CH3) | 17.1 |
| 1' (CH) | 95.5 |
| 2' (CH) | 73.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 70.8 |
| 5' (CH) | 79 |
| 6' (CH2) | 61.9 |
