Spektraris NMR
Fasciculol E
Common Name: Fasciculol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H65NO11/c1-34(2)27-12-11-24-25(16-29(44)39(8)23(14-15-38(24,39)7)22(21-41)10-13-28(43)35(3,4)48)37(27,6)17-26(42)33(34)51-31(46)19-36(5,49)18-30(45)40-20-32(47)50-9/h22-23,26-29,33,41-44,48-49H,10-21H2,1-9H3,(H,40,45)/t22?,23-,26-,27+,28-,29+,33+,36+,37-,38+,39+/m1/s1
InChIKey: InChIKey=XCIUFBDNARZOSJ-IOESLCIGSA-N
Formula: C39H65N1O11
Molecular Weight: 723.935046
Exact Mass: 723.455762
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Clericuzio, M., Piovano, M., Chamy, M.C., Garbarino, J.A., Milanesio, M., Viterbo, D., Vidari, G., Finzid, P.V. Croatica Chemica Acta (2004) 77, 605-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 44.8 |
| 2 (CH) | 68 |
| 3 (CH) | 85.9 |
| 4 (C) | 40 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 28.1 |
| 8 (C) | 134.1 |
| 9 (C) | 136.6 |
| 10 (C) | 39.2 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 74.4 |
| 13 (C) | 51.1 |
| 14 (C) | 51.3 |
| 15 (CH2) | 33.2 |
| 16 (CH2) | 29.4 |
| 17 (CH) | 44.3 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 20.3 |
| 20 (CH) | 39.3 |
| 21 (CH2) | 62 |
| 22 (CH2) | 28.9 |
| 23 (CH2) | 32.8 |
| 24 (CH) | 79.5 |
| 25 (C) | 73.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 28 |
| 29 (CH3) | 18 |
| 30 (CH3) | 24.2 |
| 3a (C) | 173.2 |
| 3b (CH2) | 46.9 |
| 3c (C) | 71.6 |
| 3d (CH2) | 47.3 |
| 3e (C) | 171.9 |
| 3f (CH2) | 41.8 |
| 3g (C) | 174.1 |
| 3h (CH3) | 52.6 |
| 3ac (CH3) | 29 |
