Spektraris NMR
Cipadesin D
Common Name: Cipadesin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O13/c1-15-23-25(39)31(7)20(12-21(37)40-9)30(5,6)28(44-18(4)36)24(42-16(2)34)29(31)46-33(15)13-22(38)45-26(19-10-11-41-14-19)32(33,8)27(23)43-17(3)35/h10-11,14,20,23-24,26-29H,1,12-13H2,2-9H3/t20-,23-,24-,26-,27-,28+,29-,31-,32+,33-/m0/s1
InChIKey: InChIKey=OPKAZEDWFLMYKP-OSNIJXSQSA-N
Formula: C33H40O13
Molecular Weight: 644.664179
Exact Mass: 644.246891
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 |
| 2 (CH) | 65.5 |
| 3 (CH) | 74.5 |
| 4 (C) | 39.2 |
| 5 (CH) | 35.6 |
| 6 (CH2) | 28.4 |
| 7 (C) | 173.7 |
| 8 (C) | 142.2 |
| 9 (C) | 205.3 |
| 10 (C) | 56.5 |
| 11 (CH) | 69.1 |
| 12 (CH) | 76.5 |
| 13 (C) | 49.5 |
| 14 (C) | 88.2 |
| 15 (CH2) | 33.8 |
| 16 (C) | 168.1 |
| 17 (CH) | 78.3 |
| 18 (CH3) | 11.5 |
| 19 (CH3) | 19.7 |
| 20 (C) | 121.1 |
| 21 (CH) | 140.4 |
| 22 (CH) | 108.8 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 22.8 |
| 29 (CH3) | 27.4 |
| 30 (CH2) | 114.8 |
| 2a (C) | 170.4 |
| 2b (CH3) | 20.8 |
| 3a (C) | 170.8 |
| 3b (CH3) | 20.4 |
| 7a (CH3) | 52 |
| 12a (C) | 168.8 |
| 12b (CH3) | 20.4 |
