Spektraris NMR
Desacetyleupacunin
Common Name: Desacetyleupacunin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-10(2)19(23)25-16-7-11(3)14(21)9-15(22)12(4)8-17-18(16)13(5)20(24)26-17/h6-8,14-18,21-22H,5,9H2,1-4H3/b10-6-,11-7-,12-8-/t14-,15-,16+,17-,18+/m0/s1
InChIKey: InChIKey=ABJWHYSCCHJFPV-MEFVLDPESA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Herz, W., Govindan, S.V., Kumar, N. Phytochemistry (1981) 20, 1343-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) | 62.9 |
| 2 (CH2) | 35.8 |
| 3 (CH) | 71.4 |
| 4 (C) | 141.6 |
| 5 (CH) | 125 |
| 6 (CH) | 74.2 |
| 7 (CH) | 46.9 |
| 8 (CH) | 67.2 |
| 9 (CH) | 121.3 |
| 10 (C) | 142.4 |
| 11 (C) | 135.9 |
| 12 (C) | 168.7 |
| 13 (CH2) | 120 |
| 14 (CH3) | 17.6 |
| 15 (CH3) | 23 |
| 8a (C) | 165.6 |
| 8b (C) | 127.3 |
| 8c (CH) | 137.7 |
| 8d (CH3) | 20 |
| 8e (CH3) | 15.4 |
