Spektraris NMR
Cipadesin E
Common Name: Cipadesin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O12/c1-15-30(37)14-28(6)23(18-9-10-39-13-18)42-21(35)12-31(15,28)43-25-22(40-16(2)32)24(41-17(3)33)27(4,5)19(11-20(34)38-8)29(25,7)26(30)36/h9-10,13,19,22-25,37H,1,11-12,14H2,2-8H3/t19-,22-,23-,24+,25-,28-,29+,30+,31-/m0/s1
InChIKey: InChIKey=HWLGQKBFDRMACD-INDUUTTHSA-N
Formula: C31H38O12
Molecular Weight: 602.627421
Exact Mass: 602.236327
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) | 73.6 |
| 2 (CH) | 65.3 |
| 3 (CH) | 74.2 |
| 4 (C) | 39.1 |
| 5 (CH) | 37.2 |
| 6 (CH2) | 29.3 |
| 7 (C) | 173.9 |
| 8 (C) | 147 |
| 9 (C) | 210.7 |
| 10 (C) | 53.4 |
| 11 (C) | 85.9 |
| 12 (CH2) | 47.2 |
| 13 (C) | 45 |
| 14 (C) | 87.3 |
| 15 (CH2) | 33.7 |
| 16 (C) | 168.4 |
| 17 (CH) | 79.5 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 19.3 |
| 20 (C) | 121.8 |
| 21 (CH) | 139.7 |
| 22 (CH) | 108.5 |
| 23 (CH) | 143.6 |
| 28 (CH3) | 22.8 |
| 29 (CH3) | 27.6 |
| 30 (CH2) | 114.1 |
| 2a (C) | 170.4 |
| 2b (CH3) | 20.8 |
| 3a (C) | 170.8 |
| 3b (CH3) | 20.4 |
| 7a (CH3) | 52 |
