Spektraris NMR
Dendromoniliside D
Common Name: Dendromoniliside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O10/c1-20(2,28)12-11-9-5-4-8(21(9,3)17(26)16(12)31-18(11)27)7-29-19-15(25)14(24)13(23)10(6-22)30-19/h8-17,19,22-26,28H,4-7H2,1-3H3/t8-,9-,10-,11+,12-,13-,14+,15-,16+,17+,19-,21-/m1/s1
InChIKey: InChIKey=QYQKFNGMKVSCEB-UDWSYIRASA-N
Formula: C21H34O10
Molecular Weight: 446.489489
Exact Mass: 446.215197
NMR Solvent: CD3OD
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) | 50.9 |
| 2 (CH) | 74.7 |
| 3 (CH) | 86.7 |
| 4 (CH) | 55.1 |
| 5 (CH) | 47.8 |
| 6 (CH) | 46.2 |
| 7 (CH3) | 23 |
| 8 (C) | 70.1 |
| 9 (CH3) | 30.5 |
| 10 (CH3) | 30.6 |
| 11 (CH2) | 27.3 |
| 12 (CH2) | 29.9 |
| 13 (CH) | 44.9 |
| 14 (CH2) | 74.9 |
| 15 (C) | 182.1 |
| 1' (CH) | 104.8 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63.1 |
