Spektraris NMR
Dendromoniliside A
Common Name: Dendromoniliside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O8/c1-19(2,27)10-7-12(21(4)9-5-6-20(21,3)17(26)13(9)10)29-18-16(25)15(24)14(23)11(8-22)28-18/h9-16,18,22-25,27H,5-8H2,1-4H3/t9-,10-,11+,12-,13-,14+,15-,16+,18-,20+,21+/m0/s1
InChIKey: InChIKey=HOFNOWPHWMXFGN-WGNKBSMGSA-N
Formula: C21H34O8
Molecular Weight: 414.490679
Exact Mass: 414.225368
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, C., Liu, Q., Halaweish, F., Shao, B., Ye, Y., Zhao, W. J Nat Prod (2003) 66, 1140-3
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) | 52.9 |
| 2 (CH) | 81 |
| 3 (CH2) | 27.7 |
| 4 (CH) | 45.8 |
| 5 (CH) | 55 |
| 6 (CH) | 43.8 |
| 7 (CH3) | 16 |
| 8 (C) | 71.9 |
| 9 (CH3) | 29 |
| 10 (CH3) | 30 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 33.4 |
| 13 (C) | 58.2 |
| 14 (CH3) | 12.2 |
| 15 (C) | 223 |
| 1' (CH) | 102.7 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78 |
| 6' (CH2) | 63.1 |
