Spektraris NMR
Ohlinyerin
Common Name: Ohlinyerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-9(2)5-14(22)24-13-7-20(4)18(27-20)17-16(26-17)11(8-21)6-12-15(13)10(3)19(23)25-12/h5-6,12-13,15-18,21H,3,7-8H2,1-2,4H3/b11-6+/t12-,13-,15+,16+,17+,18-,20+/m1/s1
InChIKey: InChIKey=UXALJTAKHOLLPG-WTOUAUGTSA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Cantrell, C.L., Vargas, D., Fronczek, F.R., Franzblau, S.G., Fischer, N.H. Phytochemistry (1994) 37, 1295-9
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) | 61.5 |
| 2 (CH) | 55 |
| 3 (CH) | 51.7 |
| 4 (C) | 135.6 |
| 5 (CH) | 125.3 |
| 6 (CH) | 74.5 |
| 7 (CH) | 49.4 |
| 8 (CH) | 74 |
| 9 (CH2) | 42.6 |
| 10 (C) | 56.8 |
| 11 (C) | 136.3 |
| 12 (C) | 169 |
| 13 (CH2) | 125.5 |
| 14 (CH3) | 20 |
| 15 (CH2) | 64.1 |
| 1' (C) | 164.8 |
| 2' (CH) | 114.4 |
| 3' (C) | 160.5 |
| 4' (CH3) | 20.4 |
| 5' (CH3) | 27.6 |
