Spektraris NMR
Heliangolide
Common Name: Heliangolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-13(2)22(27)30-18-7-6-14(3)10-19(32-24(29)17(12-26)8-9-25)21-16(5)23(28)31-20(21)11-15(18)4/h6,8,11,13,18-21,25-26H,5,7,9-10,12H2,1-4H3/b14-6+,15-11-,17-8+/t18-,19+,20+,21+/m0/s1
InChIKey: InChIKey=OQHVQWZIJYSXOZ-NYQBGUMSSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pacciaroni, A.D., Sosa, V.E., Espinar, L.A., Oberti, J.C. Phytochemistry (1995) 39, 127-31
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) | 126.4 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 77.6 |
| 4 (C) | 137.1 |
| 5 (CH) | 126.4 |
| 6 (CH) | 78.9 |
| 7 (CH) | 48.5 |
| 8 (CH) | 75.9 |
| 9 (CH2) | 43.4 |
| 10 (C) | 136.1 |
| 11 (C) | 135.1 |
| 12 (C) | 165.6 |
| 13 (CH2) | 125.3 |
| 14 (CH3) | 19.5 |
| 15 (CH3) | 23 |
| 3a (C) | 172.5 |
| 3b (CH) | 32.3 |
| 3c (CH3) | 18.8 |
| 3ba (CH3) | 16.5 |
| 8a (C) | 170.1 |
| 8b (C) | 135.9 |
| 8c (CH) | 145.5 |
| 8d (CH2) | 56.6 |
| 8ba (CH2) | 59 |
