Spektraris NMR
Lagaspholone A
Common Name: Lagaspholone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-9-6-7-12-15(19(12,3)4)16-13(9)14-11(8-10(2)17(14)21)18(22)20(16,5)23/h10,12-13,15-16,18,22-23H,1,6-8H2,2-5H3/t10-,12-,13+,15-,16+,18+,20+/m0/s1
InChIKey: InChIKey=DUFLULHNEVXHJR-MTCSHUKASA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duarte, N., Ferreira, M.J.U. Org Lett (2007) 9, 489_92
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Jatropholanes; 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) | 209.3 |
| 2 (CH) | 40.8 |
| 3 (CH2) | 34.5 |
| 4 (C) | 171.1 |
| 5 (CH) | 76.1 |
| 6 (C) | 77.2 |
| 7 (CH) | 48.5 |
| 8 (CH) | 45.5 |
| 9 (C) | 138.6 |
| 10 (C) | 152.6 |
| 11 (CH2) | 39.7 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 27 |
| 14 (CH) | 27 |
| 15 (C) | 19.6 |
| 16 (CH3) | 28.8 |
| 17 (CH3) | 16.8 |
| 18 (CH2) | 109 |
| 19 (CH3) | 15.6 |
| 20 (CH3) | 15.9 |
