Spektraris NMR
Isoeleutherobin A
Common Name: Isoeleutherobin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48N2O10/c1-20(2)25-10-8-21(3)26-15-29(46-30(40)11-9-24-16-37(6)19-36-24)34(5)12-13-35(42-7,47-34)23(14-27(25)26)17-43-33-31(41)32(45-22(4)38)28(39)18-44-33/h8-9,11-14,16,19-20,25-29,31-33,39,41H,10,15,17-18H2,1-7H3/b11-9+,23-14-/t25-,26+,27-,28-,29+,31+,32-,33-,34+,35-/m1/s1
InChIKey: InChIKey=DWOIXRLFJBZDSB-MLLHTCFKSA-N
Formula: C35H48N2O10
Molecular Weight: 656.764448
Exact Mass: 656.330896
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cinel, B., Roberge, M., Behrisch, H., Ofwegen, L.v., Castro, C.B., Andersen, R.J. Org Lett (2000) 2, 257-60
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) | 33.1 |
| 2 (CH) | 132.3 |
| 3 (C) | 133.7 |
| 4 (C) | 115.7 |
| 5 (CH) | 130.7 |
| 6 (CH) | 133.9 |
| 7 (C) | 89.2 |
| 8 (CH) | 80.8 |
| 9 (CH2) | 31.1 |
| 10 (CH) | 38.4 |
| 11 (C) | 133.3 |
| 12 (CH) | 121.4 |
| 13 (CH2) | 23.9 |
| 14 (CH) | 42.1 |
| 15 (CH2) | 67.6 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 21.7 |
| 18 (CH) | 28.8 |
| 19 (CH3) | 20.2 |
| 20 (CH3) | 22 |
| 1' (C) | 166 |
| 2' (CH) | 113.6 |
| 3' (CH) | 137.6 |
| 4' (C) | 136.8 |
| 5' (CH) | 124.8 |
| 6' (CH) | 140 |
| 7' (CH3) | 33.2 |
| 1'' (CH) | 97 |
| 2'' (CH) | 65.9 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 64.9 |
| 5'' (CH2) | 63.1 |
| 4a (CH3) | 49 |
| 3''a (C) | 170.2 |
| 3''b (CH3) | 21 |
