Spektraris NMR
3-Epi-heliangin
Common Name: 3-Epi-heliangin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1
InChIKey: InChIKey=DZTWAOVNNLDWNH-GLKVUGPASA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lo, K.L., Kuo, Y.H., Khalil, A.T. J Nat Prod (2005) 68, 745-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 59.4 |
| 2 (CH2) | 34.4 |
| 3 (CH) | 66.5 |
| 4 (C) | 141.7 |
| 5 (CH) | 124.3 |
| 6 (CH) | 72.9 |
| 7 (CH) | 48.7 |
| 8 (CH) | 75.9 |
| 9 (CH2) | 43.3 |
| 10 (C) | 56.9 |
| 11 (C) | 136.8 |
| 12 (C) | 169 |
| 13 (CH2) | 125.2 |
| 14 (CH3) | 18.5 |
| 15 (CH3) | 17 |
| 8a (C) | 166.4 |
| 8b (C) | 127.7 |
| 8c (CH) | 139.3 |
| 8d (CH3) | 14.6 |
| 8ba (CH3) | 12 |
