Spektraris NMR
Cipadesin F
Common Name: Cipadesin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H40O11/c1-16-30(36)11-10-28(6)24(19-9-12-38-15-19)41-22(35)14-31(16,28)42-26-23(39-17(2)32)25(40-18(3)33)27(4,5)20(29(26,30)7)13-21(34)37-8/h9,12,15,20,23-26,36H,1,10-11,13-14H2,2-8H3/t20-,23-,24-,25+,26-,28-,29+,30+,31-/m0/s1
InChIKey: InChIKey=WIZOVKYMIQNPQP-LPVNRPTQSA-N
Formula: C31H40O11
Molecular Weight: 588.643897
Exact Mass: 588.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yuan, X.H., Li, B.G., Xu, C.X., Zhou, M., Qi, H.Y., Zhang, G.L. Chem Pharm Bull (2007) 55, 902-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 74.8 |
| 2 (CH) | 66.4 |
| 3 (CH) | 76.2 |
| 4 (C) | 39.2 |
| 5 (CH) | 36.3 |
| 6 (CH2) | 31.1 |
| 7 (C) | 175 |
| 8 (C) | 149.2 |
| 9 (C) | 78.6 |
| 10 (C) | 50.7 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 30.2 |
| 13 (C) | 41.2 |
| 14 (C) | 81.7 |
| 15 (CH2) | 33.7 |
| 16 (C) | 169.9 |
| 17 (CH) | 80 |
| 18 (CH3) | 13.6 |
| 19 (CH3) | 16.2 |
| 20 (C) | 121.2 |
| 21 (CH) | 140.1 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143 |
| 28 (CH3) | 21.7 |
| 29 (CH3) | 27.1 |
| 30 (CH2) | 109.5 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.4 |
| 3a (C) | 170.7 |
| 3b (CH3) | 20.8 |
| 7a (CH3) | 51.9 |
