Spektraris NMR
Heliotropinone A
Common Name: Heliotropinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O4/c1-7-18(4)9-12-11(8-13(18)10(2)3)14(19)16(21-5)17(22-6)15(12)20/h7,13H,1-2,8-9H2,3-6H3
InChIKey: InChIKey=KUMTUFPJQNENGL-UHFFFAOYSA-N
Formula: C18H22O4
Molecular Weight: 302.365562
Exact Mass: 302.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guntern, A., Ioset, J.R., Queiroz, E.F., Foggin, C.M., Hostettmann, K. Phytochemistry (2001) 58, 631-5
Species:
Notes: Family : Aromatics, Type : Benzoquinones; 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 (C) | 184 |
| 2 (C) | 144.6 |
| 3 (C) | 144.5 |
| 4 (C) | 183.7 |
| 5 (CH2) | 34.4 |
| 6 (C) | 38.1 |
| 7 (CH) | 47.5 |
| 8 (CH2) | 26.3 |
| 9 (C) | 145.8 |
| 10 (CH2) | 113.3 |
| 11 (CH3) | 24.5 |
| 12 (CH3) | 20 |
| 13 (CH) | 146.3 |
| 14 (CH2) | 111.6 |
| 1'' (CH3) | 61.2 |
| 1''' (CH3) | 61.2 |
| 4a (C) | 138.8 |
| 8a (C) | 139.5 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.