Spektraris NMR
2a-Acetoxy-2R-xanthalongin
Common Name: 2a-Acetoxy-2R-xanthalongin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15+,16-/m0/s1
InChIKey: InChIKey=DPSCQKGSAHTWSP-VBIBSDQJSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abou-Douh, A.M. Chem Pharm Bull (2008) 56, 1535-45
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Xanthanes; 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) | 143.6 |
| 2 (CH) | 76 |
| 3 (CH2) | 47.7 |
| 4 (C) | 204.4 |
| 5 (CH) | 126 |
| 6 (CH2) | 26.5 |
| 7 (CH) | 42.5 |
| 8 (CH) | 79.7 |
| 9 (CH2) | 36.8 |
| 10 (CH) | 31.7 |
| 11 (C) | 139.1 |
| 12 (C) | 170.2 |
| 13 (CH2) | 122.6 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 30.7 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.2 |
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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.