Spektraris NMR
Picrotin
Common Name: Picrotin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5?,6-,7+,8+,9+,13+,14+,15?/m1/s1
InChIKey: InChIKey=RYEFFICCPKWYML-JWRZILBYSA-N
Formula: C15H18O7
Molecular Weight: 310.299807
Exact Mass: 310.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Agarwal, S.K., Singh, S.S., Verma, S., Kumar, S. Phytochemistry (1999) 50, 1365-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Picrotoxanes; 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) | 69.5 |
| 2 (CH) | 79.2 |
| 3 (CH) | 82.2 |
| 4 (CH) | 52.4 |
| 5 (CH) | 63.1 |
| 6 (C) | 74.5 |
| 7 (CH3) | 10.5 |
| 8 (C) | 86.1 |
| 9 (CH3) | 28.5 |
| 10 (CH3) | 29.9 |
| 11 (CH2) | 44 |
| 12 (CH) | 53.8 |
| 13 (C) | 52.7 |
| 14 (C) | 176.3 |
| 15 (C) | 175.1 |
