Spektraris NMR
3,4-Epoxy-7,11-dehydro-13-hydroxymethylelemen-12,8-olide
Common Name: 3,4-Epoxy-7,11-dehydro-13-hydroxymethylelemen-12,8-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-4-14(2)6-11-9(10(7-16)13(17)19-11)5-12(14)15(3)8-18-15/h4,11-12,16H,1,5-8H2,2-3H3/t11-,12-,14-,15?/m1/s1
InChIKey: InChIKey=SZCVYRMBUHRYRY-TVAMOIRASA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, B.N., Takaishi, Y., Yabuuchi, T., Kusumi, T., Tori, M., Takaoka, S., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2001) 64, 466-71
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 145.3 |
| 2 (CH2) | 112.9 |
| 3 (CH2) | 56.1 |
| 4 (C) | 56.8 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 25.1 |
| 7 (C) | 163.5 |
| 8 (CH) | 78.2 |
| 9 (CH2) | 46.8 |
| 10 (C) | 40.2 |
| 11 (C) | 123.4 |
| 12 (C) | 173.7 |
| 13 (CH2) | 54.9 |
| 14 (CH3) | 19.5 |
| 15 (CH3) | 18 |
