Spektraris NMR
7-α-Hydroxycostunolide
Common Name: 7-α-Hydroxycostunolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-10-5-4-6-11(2)9-13-15(17,8-7-10)12(3)14(16)18-13/h5,9,13,17H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,15-/m1/s1
InChIKey: InChIKey=AZKRCCHLNBJNOK-HZAIZTQPSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - De Luengo, D.H., Miski, M., Gage, D.A., Mabry, T.J. Phytochemistry (1986) 25, 1917-22
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 (CH) | 128.7 |
| 2 (CH2) | 27.2 |
| 3 (CH2) | 40.6 |
| 4 (C) | 138 |
| 5 (CH) | 122.5 |
| 6 (CH) | 86.2 |
| 7 (C) | 83.6 |
| 8 (CH2) | 32.4 |
| 9 (CH2) | 35.2 |
| 10 (C) | 142.8 |
| 11 (C) | 146 |
| 12 (C) | 170.8 |
| 13 (CH2) | 120.3 |
| 14 (CH3) | 16 |
| 15 (CH3) | 17.7 |
