Spektraris NMR
Eleganin
Common Name: Eleganin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O9/c1-10(5-6-27-12(3)24)20(25)29-15-8-22(4)19(31-22)18-17(30-18)13(9-23)7-14-16(15)11(2)21(26)28-14/h5,7,14-19,23H,2,6,8-9H2,1,3-4H3/b10-5-,13-7+/t14-,15-,16+,17+,18+,19-,22+/m1/s1
InChIKey: InChIKey=RPCAPUZHOOCZMO-RIVDNKLRSA-N
Formula: C22H26O9
Molecular Weight: 434.437294
Exact Mass: 434.157682
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Cantrell, C.L., Vargas, D., Fronczek, F.R., Franzblau, S.G., Fischer, N.H. Phytochemistry (1994) 37, 1295-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 61.3 |
| 2 (CH) | 55 |
| 3 (CH) | 51.7 |
| 4 (C) | 135.8 |
| 5 (CH) | 125 |
| 6 (CH) | 74.4 |
| 7 (CH) | 49.3 |
| 8 (CH) | 75.6 |
| 9 (CH2) | 42.4 |
| 10 (C) | 56.4 |
| 11 (C) | 136.1 |
| 12 (C) | 168.8 |
| 13 (CH2) | 125.9 |
| 14 (CH3) | 19.4 |
| 15 (CH2) | 62.9 |
| 1' (C) | 165.1 |
| 2' (C) | 127.1 |
| 3' (CH) | 142 |
| 4' (CH2) | 64.1 |
| 5' (CH3) | 19.9 |
| 4'a (C) | 170.8 |
| 4'b (CH3) | 20.9 |
