Spektraris NMR
8-Deoxymerrilliortholactone
Common Name: 8-Deoxymerrilliortholactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O6/c1-10-8-20-15(19)7-13(6-9(21-15)12(10,3)17)11(2,16)4-5-14(10,13)18/h9,16-19H,4-8H2,1-3H3/t9-,10+,11+,12+,13-,14+,15-/m1/s1
InChIKey: InChIKey=FPUYWEZSNVWNGA-GRUOELOHSA-N
Formula: C15H24O6
Molecular Weight: 300.348046
Exact Mass: 300.157289
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, J.M., Yang, C.S., Zhao, R., Takahashi, H., Fukuyama, Y. Chem Pharm Bull (2004) 52, 104-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 83.3 |
| 2 (CH2) | 38.2 |
| 3 (CH2) | 30.9 |
| 4 (C) | 82.4 |
| 5 (C) | 48 |
| 6 (C) | 77.9 |
| 7 (CH) | 79.4 |
| 8 (CH2) | 25.1 |
| 9 (C) | 50.3 |
| 10 (CH2) | 39.9 |
| 11 (C) | 111.6 |
| 12 (CH3) | 21.3 |
| 13 (CH3) | 14.8 |
| 14 (CH2) | 68.2 |
| 15 (CH3) | 23 |
