Spektraris NMR
Massileunicelina A
Common Name: Massileunicelina A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/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/h12,17-23,30H,3,9-11H2,1-2,4-8H3/t17-,18-,19-,20-,21+,22-,23+,24-,25+,26+/m1/s1
InChIKey: InChIKey=SVFJJCFPWKHIMF-GNIOKVDUSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
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) | 43.43 |
| 2 (CH) | 91.53 |
| 3 (C) | 87.59 |
| 4 (CH2) | 36.4 |
| 5 (CH2) | 37.33 |
| 6 (C) | 107.15 |
| 7 (C) | 145.41 |
| 8 (CH2) | 42.19 |
| 9 (CH) | 79.05 |
| 10 (CH) | 46.14 |
| 11 (C) | 81.92 |
| 12 (CH) | 71.46 |
| 13 (CH) | 69.38 |
| 14 (CH) | 39.63 |
| 15 (CH3) | 21.15 |
| 16 (CH2) | 115.57 |
| 17 (CH3) | 24.56 |
| 18 (CH) | 29.58 |
| 19 (CH3) | 15.56 |
| 20 (CH3) | 23.87 |
| 11a (C) | 169.93 |
| 11b (CH3) | 22.41 |
| 12a (C) | 169.5 |
| 12b (CH3) | 20.97 |
| 13a (C) | 169.33 |
| 13b (CH3) | 20.39 |
