Spektraris NMR
Colocynthol B 2-O-b -D-Glucopyranoside
Common Name: Colocynthol B 2-O-b -D-Glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O6/c1-16(15-31)10-17-12-29(6,35)24-21(36-17)13-27(4)22-9-8-18-19(11-20(32)25(34)26(18,2)3)30(22,7)23(33)14-28(24,27)5/h8,10-11,17,19,21-22,24,31-32,35H,9,12-15H2,1-7H3/b16-10+/t17-,19+,21+,22-,24-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=LOKADKIBZPRDBH-KXPYAOFWSA-N
Formula: C30H42O6
Molecular Weight: 498.652018
Exact Mass: 498.298139
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Morikawa, T., Kobayashi, H., Nakamura, A., Matsuhira, K., Nakamura, S., Matsuda, H. Chem Pharm Bull (2007) 55, 428-34
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 116.9 |
| 2 (C) | 147 |
| 3 (C) | 200 |
| 4 (C) | 50 |
| 5 (C) | 138.5 |
| 6 (CH) | 121.8 |
| 7 (CH2) | 24.8 |
| 8 (CH) | 43 |
| 9 (C) | 50.6 |
| 10 (CH) | 35.8 |
| 11 (C) | 216 |
| 12 (CH2) | 49.7 |
| 13 (C) | 49.4 |
| 14 (C) | 49.2 |
| 15 (CH2) | 42.3 |
| 16 (CH) | 71.8 |
| 17 (CH) | 56.7 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 20.9 |
| 20 (C) | 73.5 |
| 21 (CH3) | 29.8 |
| 22 (CH2) | 46.7 |
| 23 (CH) | 72.6 |
| 24 (CH) | 127.2 |
| 25 (C) | 138.7 |
| 26 (CH2) | 68.7 |
| 27 (CH3) | 13.8 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 20.5 |
