Spektraris NMR
Heliotropinone B
Common Name: Heliotropinone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O4/c1-10-6-5-7-18(2)9-12-11(8-13(10)18)14(19)16(21-3)17(22-4)15(12)20/h13H,1,5-9H2,2-4H3
InChIKey: InChIKey=BXCIAOQSXHNBSF-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) | 184.4 |
| 2 (C) | 144.5 |
| 3 (C) | 144.6 |
| 4 (C) | 184.1 |
| 5 (CH2) | 38.6 |
| 6 (C) | 34.2 |
| 7 (CH) | 43.7 |
| 8 (CH2) | 22.7 |
| 9 (CH2) | 41 |
| 10 (CH2) | 23.2 |
| 11 (CH2) | 36.8 |
| 12 (C) | 148.1 |
| 13 (CH2) | 107.6 |
| 14 (CH3) | 17.3 |
| 1'' (CH3) | 61.2 |
| 1''' (CH3) | 61.2 |
| 4a (C) | 138.8 |
| 8a (C) | 139.3 |
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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.