Spektraris NMR
Desacetyleleutherobin
Common Name: Desacetyleleutherobin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46N2O9/c1-19(2)23-9-7-20(3)24-14-27(43-28(37)10-8-22-15-35(5)18-34-22)32(4)11-12-33(40-6,44-32)21(13-25(23)24)16-41-31-30(39)29(38)26(36)17-42-31/h7-8,10-13,15,18-19,23-27,29-31,36,38-39H,9,14,16-17H2,1-6H3/b10-8+,21-13-/t23-,24+,25-,26-,27+,29-,30+,31-,32+,33-/m1/s1
InChIKey: InChIKey=NFDRTHOLSNXDNN-PVKBMYMFSA-N
Formula: C33H46N2O9
Molecular Weight: 614.72769
Exact Mass: 614.320331
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) | 33.3 |
| 2 (CH) | 132.3 |
| 3 (C) | 133.9 |
| 4 (C) | 115.6 |
| 5 (CH) | 130.9 |
| 6 (CH) | 134 |
| 7 (C) | 89.1 |
| 8 (CH) | 80.7 |
| 9 (CH2) | 31.1 |
| 10 (CH) | 38.4 |
| 11 (C) | 133.5 |
| 12 (CH) | 121.2 |
| 13 (CH2) | 23.9 |
| 14 (CH) | 42.2 |
| 15 (CH2) | 67.9 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 21.7 |
| 18 (CH) | 28.7 |
| 19 (CH3) | 20.2 |
| 20 (CH3) | 22 |
| 1' (C) | 166 |
| 2' (CH) | 113.5 |
| 3' (CH) | 137.8 |
| 4' (C) | 136.8 |
| 5' (CH) | 124.8 |
| 6' (CH) | 140 |
| 7' (CH3) | 33.1 |
| 1'' (CH) | 97.1 |
| 2'' (CH) | 69.2 |
| 3'' (CH) | 68.5 |
| 4'' (CH) | 68.1 |
| 5'' (CH2) | 63.1 |
| 4a (CH3) | 49 |
