Spektraris NMR
Ligudentatin B
Common Name: Ligudentatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O3/c1-4-19-16(18)15-9-13(17)7-12-6-5-11(10(2)3)8-14(12)15/h7,9,11,17H,2,4-6,8H2,1,3H3/t11-/m1/s1
InChIKey: InChIKey=RZRWYTLNQXCLOT-LLVKDONJSA-N
Formula: C16H20O3
Molecular Weight: 260.328804
Exact Mass: 260.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, K., Jia, Z.J. Phytochemistry (1998) 49, 167-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 119 |
| 2 (C) | 153.1 |
| 3 (CH) | 114.3 |
| 4 (C) | 130.2 |
| 5 (C) | 130.1 |
| 6 (CH2) | 33.4 |
| 7 (CH) | 41.7 |
| 8 (CH2) | 27.3 |
| 9 (CH2) | 30.3 |
| 10 (C) | 139.4 |
| 11 (C) | 149.1 |
| 12 (CH2) | 109.5 |
| 13 (CH3) | 20.8 |
| 15 (C) | 168.4 |
| 15a (CH2) | 62.4 |
| 15b (CH3) | 14.8 |
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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.