Spektraris NMR
Colocynthosides A
Common Name: Colocynthosides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H54O14/c1-17(40)52-33(2,3)11-10-24(43)38(9,49)30-21(42)14-35(6)29-20(41)12-18-19(37(29,8)25(44)15-36(30,35)7)13-22(31(48)34(18,4)5)50-32-28(47)27(46)26(45)23(16-39)51-32/h10-13,19-21,23,26-30,32,39,41-42,45-47,49H,14-16H2,1-9H3/b11-10+/t19-,20+,21-,23-,26-,27+,28-,29+,30+,32-,35+,36-,37-,38+/m1/s1
InChIKey: InChIKey=VJTYFWONTVLZJR-NKYHUVJXSA-N
Formula: C38H54O14
Molecular Weight: 734.828434
Exact Mass: 734.351356
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) | 123.2 |
| 2 (C) | 147.1 |
| 3 (C) | 199.2 |
| 4 (C) | 48.1 |
| 5 (C) | 140.8 |
| 6 (CH) | 124.3 |
| 7 (CH) | 65.8 |
| 8 (CH) | 53.3 |
| 9 (C) | 50.1 |
| 10 (CH) | 36.9 |
| 11 (C) | 216.4 |
| 12 (CH2) | 50.2 |
| 13 (C) | 49.5 |
| 14 (C) | 50.8 |
| 15 (CH2) | 46.4 |
| 16 (CH) | 71.7 |
| 17 (CH) | 60.2 |
| 18 (CH3) | 20.8 |
| 19 (CH3) | 21.7 |
| 20 (C) | 80.2 |
| 21 (CH3) | 25.5 |
| 22 (C) | 205.3 |
| 23 (CH) | 122.6 |
| 24 (CH) | 151.6 |
| 25 (C) | 81 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 20.7 |
| 30 (CH3) | 19.3 |
| 1' (CH) | 101.1 |
| 2' (CH) | 74.2 |
| 3' (CH) | 77.5 |
| 4' (CH) | 70.6 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 61.9 |
| 25a (C) | 171.9 |
| 25b (CH3) | 21.9 |
