Spektraris NMR
Euphoreppine B
Common Name: Euphoreppine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O12/c1-12-16(3)29(40)45-23-14-22-24(33(22,9)10)27-34(11)31(46-30(41)17(4)13-2)35(47-21(8)39)15-18(5)26(43-19(6)37)25(35)28(44-20(7)38)36(23,27)32(42)48-34/h12-13,18,22-28,31-32,42H,14-15H2,1-11H3/b16-12+,17-13+/t18-,22-,23+,24-,25+,26-,27-,28+,31+,32?,34+,35+,36-/m0/s1
InChIKey: InChIKey=ZSRAVSLYXKFFSI-QRKBCAMNSA-N
Formula: C36H50O12
Molecular Weight: 674.776389
Exact Mass: 674.330227
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shi, Y.P., Jia, Z.J., Jamil, L., Sadiq, S. Phytochemistry (1995) 40, 1219-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 44.7 |
| 2 (CH) | 36.8 |
| 3 (CH) | 76.7 |
| 4 (CH) | 51.4 |
| 5 (CH) | 66.9 |
| 6 (C) | 56.3 |
| 7 (CH) | 71.7 |
| 8 (CH2) | 25 |
| 9 (CH) | 23.5 |
| 10 (C) | 19.1 |
| 11 (CH) | 18.5 |
| 12 (CH) | 37.6 |
| 13 (C) | 88.4 |
| 14 (CH) | 72.7 |
| 15 (C) | 89.5 |
| 16 (CH3) | 14.2 |
| 17 (CH) | 97.6 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 15.8 |
| 20 (CH3) | 25 |
| 3a (C) | 170.6 |
| 3b (CH3) | 22.6 |
| 5a (C) | 170.1 |
| 5b (CH3) | 21 |
| 7a (C) | 165.7 |
| 7b (C) | 138.2 |
| 7c (CH) | 128 |
| 7d (CH3) | 14.1 |
| 7ba (CH3) | 11.9 |
| 14a (C) | 166.5 |
| 14b (C) | 138.9 |
| 14c (CH) | 128.8 |
| 14d (CH3) | 14.5 |
| 14ba (CH3) | 12.2 |
| 15a (C) | 169.6 |
| 15b (CH3) | 21.3 |
