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/C36H52O11/c1-17(15-37)10-18-12-35(6,44)29-22(45-18)13-33(4)24-9-8-19-20(36(24,7)25(39)14-34(29,33)5)11-21(30(43)32(19,2)3)46-31-28(42)27(41)26(40)23(16-38)47-31/h8,10-11,18,20,22-24,26-29,31,37-38,40-42,44H,9,12-16H2,1-7H3/b17-10+/t18-,20+,22+,23+,24-,26+,27-,28+,29-,31+,33-,34+,35-,36-/m0/s1
InChIKey: InChIKey=YVAAKMWFYHGMRV-IKIKUWHHSA-N
Formula: C36H52O11
Molecular Weight: 660.792866
Exact Mass: 660.350963
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) | 121 |
| 2 (C) | 146.9 |
| 3 (C) | 197 |
| 4 (C) | 49.5 |
| 5 (C) | 137.2 |
| 6 (CH) | 120.9 |
| 7 (CH2) | 24 |
| 8 (CH) | 41.7 |
| 9 (C) | 49.8 |
| 10 (CH) | 35.5 |
| 11 (C) | 214.4 |
| 12 (CH2) | 49.3 |
| 13 (C) | 48.8 |
| 14 (C) | 48.7 |
| 15 (CH2) | 42.1 |
| 16 (CH) | 70.9 |
| 17 (CH) | 56.4 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 20.4 |
| 20 (C) | 72.4 |
| 21 (CH3) | 30.2 |
| 22 (CH2) | 46.5 |
| 23 (CH) | 71.5 |
| 24 (CH) | 126.3 |
| 25 (C) | 138.2 |
| 26 (CH2) | 67.7 |
| 27 (CH3) | 14 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 20.5 |
| 1' (CH) | 100.8 |
| 2' (CH) | 74.5 |
| 3' (CH) | 78.5 |
| 4' (CH) | 70.6 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.2 |
