Spektraris NMR
Dendronpholide J
Common Name: Dendronpholide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O8/c1-13(19(25)26)15-6-9-20(3,27)17-8-11-22(5,30-17)16(24)7-10-21(4,28)18(12-15)29-14(2)23/h15-18,24,27-28H,1,6-12H2,2-5H3,(H,25,26)/t15-,16+,17+,18-,20-,21+,22-/m1/s1
InChIKey: InChIKey=DTBIJVSZQRYFFB-XHMTVPDMSA-N
Formula: C22H36O8
Molecular Weight: 428.517296
Exact Mass: 428.241018
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ma, A., Deng, Z., van Ofwegen, L., Bayer, M., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1152-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 36 |
| 2 (CH2) | 29.3 |
| 3 (CH2) | 32.2 |
| 4 (C) | 72.4 |
| 5 (CH) | 88.5 |
| 6 (CH2) | 28 |
| 7 (CH2) | 36.2 |
| 8 (C) | 82.4 |
| 9 (CH) | 77.1 |
| 10 (CH2) | 24.1 |
| 11 (CH2) | 36.9 |
| 12 (C) | 73 |
| 13 (CH) | 80.1 |
| 14 (CH2) | 23 |
| 15 (C) | 140.4 |
| 16 (C) | 166.3 |
| 17 (CH2) | 131.1 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 21.2 |
| 20 (CH3) | 25.6 |
| 13a (C) | 170.9 |
| 13b (CH3) | 21.6 |
