Spektraris NMR
Desmethyleleutherobin
Common Name: Desmethyleleutherobin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46N2O10/c1-19(2)24-9-7-20(3)25-14-28(45-29(39)10-8-23-15-36(6)18-35-23)33(5)11-12-34(41,46-33)22(13-26(24)25)16-42-32-31(44-21(4)37)30(40)27(38)17-43-32/h7-8,10-13,15,18-19,24-28,30-32,38,40-41H,9,14,16-17H2,1-6H3/b10-8+,22-13-/t24-,25+,26-,27-,28+,30-,31+,32-,33+,34-/m1/s1
InChIKey: InChIKey=WRPLJTYNAMMOEE-TXILBGFKSA-N
Formula: C34H46N2O10
Molecular Weight: 642.737831
Exact Mass: 642.315246
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) | 33.5 |
| 2 (CH) | 133 |
| 3 (C) | 135 |
| 4 (C) | 111.6 |
| 5 (CH) | 131 |
| 6 (CH) | 133.5 |
| 7 (C) | 88.6 |
| 8 (CH) | 80.8 |
| 9 (CH2) | 31.1 |
| 10 (CH) | 38.4 |
| 11 (C) | 133.8 |
| 12 (CH) | 120.8 |
| 13 (CH2) | 23.9 |
| 14 (CH) | 42.1 |
| 15 (CH2) | 68.2 |
| 16 (CH3) | 25.1 |
| 17 (CH3) | 21.7 |
| 18 (CH) | 28.8 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 22 |
| 1' (C) | 166 |
| 2' (CH) | 113.7 |
| 3' (CH) | 137.6 |
| 4' (C) | 136.9 |
| 5' (CH) | 124.8 |
| 6' (CH) | 140 |
| 7' (CH3) | 33.2 |
| 1'' (CH) | 92.9 |
| 2'' (CH) | 70.8 |
| 3'' (CH) | 68.6 |
| 4'' (CH) | 66.2 |
| 5'' (CH2) | 63.1 |
| 2''a (C) | 170 |
| 2''b (CH3) | 21 |
