Spektraris NMR
Isojacareubin
Common Name: Isojacareubin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-11(20)13-14(21)9-3-4-10(19)15(22)17(9)23-16(8)13/h3-7,19-20,22H,1-2H3
InChIKey: InChIKey=FSTNFJKGRSHPBO-UHFFFAOYSA-N
Formula: C18H14O6
Molecular Weight: 326.300846
Exact Mass: 326.079038
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rath, G., Potterat, O., Mavi, S., Hostettmann, K. Phytochemistry (1996) 43, 513-20
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 164.2 |
| 2 (CH) | 99.4 |
| 3 (C) | 161.2 |
| 4 (C) | 102.1 |
| 4a (C) | 153 |
| 5 (C) | 133.5 |
| 6 (C) | 152.7 |
| 7 (CH) | 113.9 |
| 8 (CH) | 117.5 |
| 8a (C) | 114.6 |
| 9 (C) | 181.4 |
| 9a (C) | 103.5 |
| 10a (C) | 147 |
| 1' (CH) | 115.9 |
| 2' (CH) | 128 |
| 3' (C) | 78.9 |
| 4' (CH3) | 28.3 |
| 5' (CH3) | 28.3 |
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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.