Spektraris NMR
Dendromoniliside B
Common Name: Dendromoniliside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O11/c1-20(2,29)11-10-7-4-5-8(17(26)27)21(7,3)16(15(11)31-18(10)28)32-19-14(25)13(24)12(23)9(6-22)30-19/h7-16,19,22-25,29H,4-6H2,1-3H3,(H,26,27)/t7-,8-,9-,10+,11-,12-,13+,14-,15+,16+,19+,21+/m1/s1
InChIKey: InChIKey=VGJYMRIOASNQIL-DFKMWCPOSA-N
Formula: C21H32O11
Molecular Weight: 460.473012
Exact Mass: 460.194462
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) | 51.6 |
| 2 (CH) | 78.9 |
| 3 (CH) | 79.6 |
| 4 (CH) | 53.8 |
| 5 (CH) | 45.8 |
| 6 (CH) | 43.6 |
| 7 (CH3) | 23.8 |
| 8 (C) | 68.5 |
| 9 (CH3) | 30 |
| 10 (CH3) | 30.3 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 28.6 |
| 13 (CH) | 50.1 |
| 14 (C) | 178.7 |
| 15 (C) | 178.8 |
| 1' (CH) | 101.5 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.5 |
| 4' (CH) | 71 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.3 |
