Spektraris NMR
Merrilliortholactone
Common Name: Merrilliortholactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O7/c1-10-7-21-15(20)6-13(8(16)9(22-15)12(10,3)18)11(2,17)4-5-14(10,13)19/h8-9,16-20H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13+,14+,15-/m1/s1
InChIKey: InChIKey=GRXDYDUQABKXJW-ZLXJMDFFSA-N
Formula: C15H24O7
Molecular Weight: 316.347451
Exact Mass: 316.152203
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, J.M., Nakade, K., Kondo, M., Yang, C.S., Fukuyama, Y. Chem Pharm Bull (2002) 50, 133-6
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) | 86.2 |
| 2 (CH2) | 38.2 |
| 3 (CH2) | 32 |
| 4 (C) | 91.2 |
| 5 (C) | 49.4 |
| 6 (C) | 78.4 |
| 7 (CH) | 80.4 |
| 8 (CH) | 75.3 |
| 9 (C) | 51.4 |
| 10 (CH2) | 41.5 |
| 11 (C) | 111.8 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 15.1 |
| 14 (CH2) | 68.7 |
| 15 (CH3) | 23.8 |
