Spektraris NMR
Ligudentatin A
Common Name: Ligudentatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-9(2)10-4-5-11-6-12(16)8-14(13(11)7-10)15(17)18-3/h6,8,10,16H,1,4-5,7H2,2-3H3/t10-/m1/s1
InChIKey: InChIKey=QTXBUQHQOMWGJN-SNVBAGLBSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
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) | 119.3 |
| 2 (C) | 152.7 |
| 3 (CH) | 115 |
| 4 (C) | 131.1 |
| 5 (C) | 130.4 |
| 6 (CH2) | 32.6 |
| 7 (CH) | 41.8 |
| 8 (CH2) | 27.2 |
| 9 (CH2) | 30.3 |
| 10 (C) | 139.4 |
| 11 (C) | 149.4 |
| 12 (CH2) | 109.3 |
| 13 (CH3) | 20.7 |
| 15 (C) | 168.2 |
| 15a (CH3) | 51.9 |
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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.