Spektraris NMR
Dihydromammea C/OB
Common Name: Dihydromammea C/OB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-4-6-7-8-12-9-15(22)24-19-16(12)13(20)10-14(21)17(19)18(23)11(3)5-2/h10-12,20-21H,4-9H2,1-3H3
InChIKey: InChIKey=DREHJXZHUCILLE-UHFFFAOYSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Crichton, E.G., Waterman, P.G. Phytochemistry (1978) 17, 1783-5
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Dihydrocoumarins; 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 |
|---|---|
| 2 (C) | 168 |
| 3 (CH2) | 34 |
| 4 (CH) | 28.8 |
| 5 (C) | 152.9 |
| 6 (CH) | 100 |
| 7 (C) | 159 |
| 8 (C) | 104.8 |
| 9 (C) | 165 |
| 10 (C) | 106.8 |
| 1' (CH2) | 33.7 |
| 2' (CH2) | 31.7 |
| 3' (CH2) | 26.4 |
| 4' (CH2) | 22.6 |
| 5' (CH3) | 14 |
| 8a (C) | 210 |
| 8b (CH) | 46.7 |
| 8c (CH2) | 27 |
| 8d (CH3) | 11.8 |
| 8ba (CH3) | 16.8 |
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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.