Spektraris NMR
(3S)-3beta-[(7Z)-7-Hexadecenyl]-4beta-hydroxy-5alpha-methyltetrahydrofuran-2-one
![(3S)-3beta-[(7Z)-7-Hexadecenyl]-4beta-hydroxy-5alpha-methyltetrahydrofuran-2-one](/nmr/static/nmr/svg/20239.svg)
Common Name: (3S)-3beta-[(7Z)-7-Hexadecenyl]-4beta-hydroxy-5alpha-methyltetrahydrofuran-2-one
Synonyms: (3S)-3beta-[(7Z)-7-Hexadecenyl]-4beta-hydroxy-5alpha-methyltetrahydrofuran-2-one
CAS Registry Number:
InChI: InChI=1S/C21H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-20(22)18(2)24-21(19)23/h10-11,18-20,22H,3-9,12-17H2,1-2H3/b11-10-/t18-,19-,20-/m0/s1
InChIKey: InChIKey=BRHQPRAQLMOAKC-AEPYXYJISA-N
Formula: C21H38O3
Molecular Weight: 338.525417
Exact Mass: 338.282095
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Allouche, N., Apel, C., Martin, M.T., Dumontet, V., Gueritte, F., Litaudon, M. Phytochemistry (2009) 70, 546-53
Species:
Notes: Family : Miscellanea, Type : Butanolides; 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) | 176.9 |
| 2 (CH) | 43.5 |
| 3 (CH) | 73.7 |
| 4 (CH) | 82.1 |
| 5 (CH3) | 17.9 |
| 2a (CH2) | 23.1 |
| 2b (CH2) | 27.4 |
| 2c (CH2) | 28.8 |
| 2d (CH2) | 28.8 |
| 2e (CH2) | 29.5 |
| 2f (CH2) | 27 |
| 2g (CH) | 129.4 |
| 2h (CH) | 129.9 |
| 2i (CH2) | 27 |
| 2j (CH2) | 28.8 |
| 2k (CH2) | 28.8 |
| 2l (CH2) | 28.8 |
| 2m (CH2) | 29.5 |
| 2n (CH2) | 31.7 |
| 2o (CH2) | 22.5 |
| 2p (CH3) | 13.9 |
