Spektraris NMR
Massileunicellin C
Common Name: Massileunicellin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O9/c1-12(2)18-19-20(17-11-13(3)26(30)10-9-24(7,35-26)22(19)33-17)25(8,34-16(6)29)23(32-15(5)28)21(18)31-14(4)27/h12-13,17-23,30H,9-11H2,1-8H3/t13-,17+,18+,19+,20+,21-,22+,23-,24+,25-,26-/m0/s1
InChIKey: InChIKey=WRZKDPHTWGXIOD-WWXIXUBMSA-N
Formula: C26H40O9
Molecular Weight: 496.591408
Exact Mass: 496.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mancini, I., Guella, G., Zibrowius, H., Laurent, D., Pietra, F. Helv Chim Acta (1999) 82, 1681-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 43.36 |
| 2 (CH) | 91.23 |
| 3 (C) | 86.48 |
| 4 (CH2) | 32.42 |
| 5 (CH2) | 36.06 |
| 6 (C) | 111.57 |
| 7 (CH) | 37.71 |
| 8 (CH2) | 41.24 |
| 9 (CH) | 79 |
| 10 (CH) | 44.03 |
| 11 (C) | 82.11 |
| 12 (CH) | 72.15 |
| 13 (CH) | 69.55 |
| 14 (CH) | 39.33 |
| 15 (CH3) | 21.15 |
| 16 (CH3) | 18.4 |
| 17 (CH3) | 24.8 |
| 18 (CH) | 29.59 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 23.86 |
| 11a (C) | 169.97 |
| 11b (CH3) | 22.57 |
| 12a (C) | 169.67 |
| 12b (CH3) | 20.94 |
| 13a (C) | 169.57 |
| 13b (CH3) | 21.16 |
