Spektraris NMR
Euphoppin D
Common Name: Euphoppin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O12/c1-12-16(3)29(40)46-23-14-22-24(33(22,9)10)27-34(11)31(45-21(8)39)35(47-30(41)17(4)13-2)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=PEOAVEQUPRTVMM-PWLHDOIQSA-N
Formula: C36H50O12
Molecular Weight: 674.776389
Exact Mass: 674.330227
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, L., Shi, Y.P., Jia, Z.J., Saleh, S., Lahham, J. J Nat Prod (1995) 58, 1883-8
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) | 44.78 |
| 2 (CH) | 36.78 |
| 3 (CH) | 77.32 |
| 4 (CH) | 51.58 |
| 5 (CH) | 67.31 |
| 6 (C) | 56.97 |
| 7 (CH) | 73.96 |
| 8 (CH2) | 25.62 |
| 9 (CH) | 24.02 |
| 10 (C) | 19.31 |
| 11 (CH) | 18.95 |
| 12 (CH) | 38.39 |
| 13 (C) | 87.03 |
| 14 (CH) | 14.37 |
| 15 (C) | 89.8 |
| 16 (CH3) | 14.37 |
| 17 (CH) | 98.72 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 15.92 |
| 20 (CH3) | 25.15 |
| 3a (C) | 170.71 |
| 3b (CH3) | 21.05 |
| 5a (C) | 171.55 |
| 5b (CH3) | 21.31 |
| 7a (C) | 165.56 |
| 7b (C) | 137.84 |
| 7c (CH) | 128.27 |
| 7d (CH3) | 14.54 |
| 7ba (CH3) | 11.98 |
| 14a (C) | 168.9 |
| 14b (CH3) | 22.68 |
| 15a (C) | 166.57 |
| 15b (C) | 135.58 |
| 15c (CH) | 129.17 |
| 15d (CH3) | 14.54 |
| 15ba (CH3) | 12.3 |
