Spektraris NMR
(1S)-1,5-Secovibralactone
Common Name: (1S)-1,5-Secovibralactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H16O3/c1-9(2)3-4-11-7-10(8-13)5-6-15-12(11)14/h3,5-7,11,13H,4,8H2,1-2H3/t11-/m0/s1
InChIKey: InChIKey=GBGOKTDQCPDZMS-NSHDSACASA-N
Formula: C12H16O3
Molecular Weight: 208.254098
Exact Mass: 208.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, M.Y., Wang, F., Yang, X.L., Fang, L.Z., Dong, Z.J., Zhu, H.J., Liu, J.K. Chem Pharm Bull (2008) 56, 1286-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Vibralactones; 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) | 45.3 |
| 2 (CH) | 123.3 |
| 3 (C) | 138 |
| 4 (CH) | 112.4 |
| 5 (CH) | 140.4 |
| 7 (C) | 167.8 |
| 8 (CH2) | 27.8 |
| 9 (CH) | 120.3 |
| 10 (C) | 134.5 |
| 11 (CH3) | 17.9 |
| 12 (CH3) | 25.7 |
| 13 (CH2) | 63.8 |
