Spektraris NMR
(-)-4-Deacetyljunceellolide D
Common Name: (-)-4-Deacetyljunceellolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-12-8-9-19(33-15(4)27)25(7)20(34-16(5)28)11-18(30)13(2)10-21-26(32,14(3)24(31)36-21)23(22(12)25)35-17(6)29/h10,14,18-23,30,32H,1,8-9,11H2,2-7H3/b13-10-/t14-,18+,19-,20-,21-,22+,23-,25+,26-/m0/s1
InChIKey: InChIKey=QISZCQONBPIRLQ-XLRQGMDPSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia, M., Rodriguez, J., Jimenez, C. J Nat Prod (1999) 62, 257-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 47.3 |
| 2 (CH) | 72.8 |
| 3 (CH2) | 40.5 |
| 4 (CH) | 71.3 |
| 5 (C) | 147.2 |
| 6 (CH) | 123.3 |
| 7 (CH) | 76.8 |
| 8 (C) | 82.9 |
| 9 (CH) | 71.1 |
| 10 (CH) | 42.2 |
| 11 (C) | 151.1 |
| 12 (CH2) | 25.7 |
| 13 (CH2) | 27.5 |
| 14 (CH) | 73.7 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 26.2 |
| 17 (CH) | 42.4 |
| 18 (CH3) | 6.4 |
| 19 (C) | 176 |
| 20 (CH2) | 112.9 |
| 2a (C) | 170.7 |
| 2b (CH3) | 20.9 |
| 9a (C) | 170.6 |
| 9b (CH3) | 21.1 |
| 14a (C) | 169.9 |
| 14b (CH3) | 21.8 |
