Spektraris NMR
Dihydroxypicrotoxinin
Common Name: Dihydroxypicrotoxinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O8/c1-12(19,4-16)6-7-10(17)21-8(6)9-13(2)14(7,20)3-5-15(13,23-5)11(18)22-9/h5-9,16,19-20H,3-4H2,1-2H3/t5?,6-,7+,8+,9+,12?,13+,14+,15?/m1/s1
InChIKey: InChIKey=CVKWZMKSOLCEOF-QQRJJQMSSA-N
Formula: C15H18O8
Molecular Weight: 326.299211
Exact Mass: 326.100168
NMR Solvent: CD3OD
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) | 70.5 |
| 2 (CH) | 82.8 |
| 3 (CH) | 79.6 |
| 4 (CH) | 51.9 |
| 5 (CH) | 63.4 |
| 6 (C) | 74.9 |
| 7 (CH3) | 10.4 |
| 8 (C) | 86.3 |
| 9 (CH2) | 70.1 |
| 10 (CH3) | 23.9 |
| 11 (CH2) | 44.5 |
| 12 (CH) | 49.8 |
| 13 (C) | 50.7 |
| 14 (C) | 176.8 |
| 15 (C) | 173.5 |
