Spektraris NMR
Danielid
Common Name: Danielid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H30O10/c1-12(2)15-7-8-16-21(32-13(3)26)20(35-24(16)29)11-25(5,30)22(33-14(4)27)19-10-17(23(28)31-6)18(9-15)34-19/h8,10,15,20-22,30H,1,7,9,11H2,2-6H3/b16-8-/t15-,20+,21-,22+,25+/m0/s1
InChIKey: InChIKey=XOPXSSDJKFTOQG-TYJMDHOPSA-N
Formula: C25H30O10
Molecular Weight: 490.500669
Exact Mass: 490.183897
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grote, D., Dahse, H.M., Seifert, K. Chem Biodivers (2008) 5, 2449-56
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) | 42.3 |
| 2 (CH2) | 30.3 |
| 3 (C) | 160.3 |
| 4 (C) | 114.9 |
| 5 (CH) | 108.4 |
| 6 (C) | 149.4 |
| 7 (CH) | 74.4 |
| 8 (C) | 74.3 |
| 9 (CH2) | 39.7 |
| 10 (CH) | 78.9 |
| 11 (CH) | 76.4 |
| 12 (C) | 127.6 |
| 13 (CH) | 148.8 |
| 14 (CH2) | 30.6 |
| 15 (C) | 147 |
| 16 (CH2) | 110.7 |
| 17 (CH3) | 21.7 |
| 18 (C) | 163.7 |
| 19 (CH3) | 22.8 |
| 20 (C) | 167.5 |
| 7a (C) | 170.2 |
| 7b (CH3) | 21 |
| 11a (C) | 170.5 |
| 11b (CH3) | 20.9 |
| 18a (CH3) | 51.5 |
