Spektraris NMR
cipadesin E
Common Name: cipadesin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-14-17-10-22(32)38-26(16-8-9-35-13-16)28(17,5)25(33)23-24(14)37-20-12-19(36-15(2)30)27(3,4)18(29(20,23)6)11-21(31)34-7/h8-10,13,18-20,23,25-26,33H,11-12H2,1-7H3/t18-,19+,20-,23?,25-,26-,28-,29+/m0/s1
InChIKey: InChIKey=QPOFDJPNBLTBIL-SLMXQFQMSA-N
Formula: C29H36O9
Molecular Weight: 528.591853
Exact Mass: 528.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ren, Y.L., Tang, Q.R., Di, Y.T., He, H.P., Zhang, Z., Li, S.L., Hao, X.J. Helv Chim Acta (2007) 90, 764-8
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) | 86.8 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 76.9 |
| 4 (C) | 38 |
| 5 (CH) | 36.4 |
| 6 (CH2) | 32.1 |
| 7 (C) | 176.3 |
| 8 (C) | 101.5 |
| 9 (C) | 162.6 |
| 10 (C) | 46.4 |
| 11 (CH) | 56.7 |
| 12 (CH) | 70 |
| 13 (C) | 44.8 |
| 14 (C) | 165.2 |
| 15 (CH) | 104 |
| 16 (C) | 167.9 |
| 17 (CH) | 79.2 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 21.4 |
| 20 (C) | 123 |
| 21 (CH) | 142 |
| 22 (CH) | 110.2 |
| 23 (CH) | 145 |
| 28 (CH3) | 21.8 |
| 29 (CH3) | 26.5 |
| 30 (CH3) | 10 |
| 3a (C) | 171.7 |
| 3b (CH3) | 21.1 |
| 7a (CH3) | 52.3 |
