Spektraris NMR
Meliastatin 3
Common Name: Meliastatin 3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-27(2,37-35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1
InChIKey: InChIKey=UXDZXRKJSZVQHR-GEMWEJHDSA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Numata, A., Iwamoto, C., Morito, H., Yamada, T., Goswami, A., Clewlow, P.J., Cragg, G.M., Schmidt, J.M. J Nat Prod (2002) 65, 1886-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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 (CH2) | 38.5 |
| 2 (CH2) | 34.9 |
| 3 (C) | 216.7 |
| 4 (C) | 47.9 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 118.7 |
| 8 (C) | 144.5 |
| 9 (CH) | 47.9 |
| 10 (C) | 35.1 |
| 11 (CH2) | 18 |
| 12 (CH2) | 33 |
| 13 (C) | 45.5 |
| 14 (C) | 49.9 |
| 15 (CH2) | 44.6 |
| 16 (CH) | 77.2 |
| 17 (CH) | 57.9 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 12.8 |
| 20 (CH) | 48.1 |
| 21 (C) | 177 |
| 22 (CH2) | 34.2 |
| 23 (CH) | 127.7 |
| 24 (CH) | 136.4 |
| 25 (C) | 81.8 |
| 26 (CH3) | 24.4 |
| 27 (CH3) | 24.2 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.8 |
| 21a (CH3) | 51.8 |
