Spektraris NMR
Eleuthoside A
Common Name: Eleuthoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H48N2O11/c1-20(2)26-10-8-21(3)27-15-30(48-31(42)11-9-25-16-38(7)19-37-25)35(6)12-13-36(43,49-35)24(14-28(26)27)17-44-34-33(47-23(5)40)32(46-22(4)39)29(41)18-45-34/h8-9,11-14,16,19-20,26-30,32-34,41,43H,10,15,17-18H2,1-7H3/b11-9+,24-14-/t26-,27+,28-,29-,30+,32-,33+,34-,35+,36-/m1/s1
InChIKey: InChIKey=WULJTNLWNQUXDF-GJELWXEWSA-N
Formula: C36H48N2O11
Molecular Weight: 684.774589
Exact Mass: 684.32581
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ketzinel, S., Rudi, A., Schleyer, M., Benayahu, Y., Kashman, Y. J Nat Prod (1996) 59, 873-5
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) | 34.3 |
| 2 (CH) | 137.9 |
| 3 (C) | 133.3 |
| 4 (C) | 112.3 |
| 5 (CH) | 133.2 |
| 6 (CH) | 132.1 |
| 7 (C) | 90.3 |
| 8 (CH) | 81.1 |
| 9 (CH2) | 31.6 |
| 10 (CH) | 38.7 |
| 11 (C) | 134.1 |
| 12 (CH) | 121.3 |
| 13 (CH2) | 24.4 |
| 14 (CH) | 42.1 |
| 15 (CH2) | 166.8 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 22 |
| 18 (CH) | 29.1 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 22.2 |
| 1' (C) | 115.9 |
| 2' (CH) | 136.4 |
| 3' (CH) | 138 |
| 4' (C) | 122.7 |
| 5' (CH) | 139.2 |
| 6' (CH) | 33.6 |
| 7' (CH3) | 71.9 |
| 1'' (CH) | 95.5 |
| 2'' (CH) | 67.9 |
| 3'' (CH) | 69.9 |
| 4'' (CH) | 67.9 |
| 5'' (CH2) | 62.2 |
| 2''a (C) | 170.5 |
| 2''b (CH3) | 20.8 |
| 3''a (C) | 170.5 |
| 3''b (CH3) | 20.8 |
