Spektraris NMR
Epi-isocostunolide
Common Name: Epi-isocostunolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h7,9,13-14H,3-6,8H2,1-2H3/b10-7+,11-9+/t13-,14-/m1/s1
InChIKey: InChIKey=YASQWKKSUDWLGB-UZCQSHQOSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Flegel, M., Adam, K.P., Becker, H. Phytochemistry (1999) 52, 1633-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH2) | 30.5 |
| 2 (CH2) | 20.7 |
| 3 (CH2) | 41.7 |
| 4 (C) | 140 |
| 5 (CH) | 119.5 |
| 6 (CH) | 77.3 |
| 7 (CH) | 39 |
| 8 (CH2) | 29.7 |
| 9 (CH) | 121.5 |
| 10 (C) | 138 |
| 11 (C) | 139 |
| 12 (C) | 170.3 |
| 13 (CH2) | 121.5 |
| 14 (CH3) | 23.3 |
| 15 (CH3) | 15.8 |
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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.