Spektraris NMR
Colocynthol A
Common Name: Colocynthol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O9/c1-16(33)41-27(2,3)11-10-22(37)32(9,40)25-21(36)14-29(6)24-19(34)12-17-18(13-20(35)26(39)28(17,4)5)31(24,8)23(38)15-30(25,29)7/h10-13,18-19,21,24-25,34-36,40H,14-15H2,1-9H3/b11-10+/t18-,19+,21-,24+,25+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=SGUCHYFOTGXDTG-IEPPCUIASA-N
Formula: C32H44O9
Molecular Weight: 572.687586
Exact Mass: 572.298533
NMR Solvent: CDCl3
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) | 116.7 |
| 2 (C) | 147 |
| 3 (C) | 199.5 |
| 4 (C) | 48.2 |
| 5 (C) | 142.1 |
| 6 (CH) | 123.7 |
| 7 (CH) | 65.9 |
| 8 (CH) | 53.5 |
| 9 (C) | 50 |
| 10 (CH) | 36.6 |
| 11 (C) | 215.8 |
| 12 (CH2) | 50.9 |
| 13 (C) | 49.5 |
| 14 (C) | 51 |
| 15 (CH2) | 46.6 |
| 16 (CH) | 71.9 |
| 17 (CH) | 60.1 |
| 18 (CH3) | 20.9 |
| 19 (CH3) | 21.5 |
| 20 (C) | 80.3 |
| 21 (CH3) | 25.5 |
| 22 (C) | 205.2 |
| 23 (CH) | 122.8 |
| 24 (CH) | 151.8 |
| 25 (C) | 81.2 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 26.9 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 19.5 |
| 25a (C) | 171.9 |
| 25b (CH3) | 21.9 |
