Spektraris NMR
Euphoreppine A
Common Name: Euphoreppine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O12/c1-11-14(2)27(38)43-21-12-20-22(30(20,8)9)25-31(10)28(42-18(6)36)32(44-19(7)37)13-15(3)24(40-16(4)34)23(32)26(41-17(5)35)33(21,25)29(39)45-31/h11,15,20-26,28-29,39H,12-13H2,1-10H3/b14-11+/t15-,20-,21+,22-,23+,24-,25-,26+,28+,29?,31+,32+,33-/m0/s1
InChIKey: InChIKey=HQDPLIPPLPIIQH-XPBONSFZSA-N
Formula: C33H46O12
Molecular Weight: 634.712418
Exact Mass: 634.298927
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) | 44.5 |
| 2 (CH) | 36.3 |
| 3 (CH) | 76.7 |
| 4 (CH) | 51.1 |
| 5 (CH) | 66.7 |
| 6 (C) | 56 |
| 7 (CH) | 71.5 |
| 8 (CH2) | 24.8 |
| 9 (CH) | 23.2 |
| 10 (C) | 18.9 |
| 11 (CH) | 18.5 |
| 12 (CH) | 37.7 |
| 13 (C) | 87.6 |
| 14 (CH) | 72.7 |
| 15 (C) | 88 |
| 16 (CH3) | 14.2 |
| 17 (CH) | 97.5 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 15.5 |
| 20 (CH3) | 24.7 |
| 3a (C) | 170.7 |
| 3b (CH3) | 22.3 |
| 5a (C) | 170.1 |
| 5b (CH3) | 20.7 |
| 7a (C) | 165.5 |
| 7b (C) | 138.3 |
| 7c (CH) | 128.4 |
| 7d (CH3) | 14 |
| 7ba (CH3) | 11.6 |
| 14a (C) | 169.6 |
| 14b (CH3) | 20.4 |
| 15a (C) | 169.6 |
| 15b (CH3) | 20.7 |
