Spektraris NMR
Diacetyleleganodiol
Common Name: Diacetyleleganodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O4/c1-12(2)17-9-7-13(3)18(22-15(5)20)10-8-14(4)19(11-17)23-16(6)21/h17-19H,1,3-4,7-11H2,2,5-6H3/t17-,18+,19+/m1/s1
InChIKey: InChIKey=VCCQYOUFYQWLLH-QYZOEREBSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Lopez, M., Rico, M., Gonzalez-Platas, J., Quintana, J., Estevez, F., Leon, F., Bermejo, J. J Nat Prod (2003) 66, 943-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 76 |
| 2 (CH2) | 29.6 |
| 3 (CH2) | 24.8 |
| 4 (C) | 145 |
| 5 (CH) | 78.5 |
| 6 (CH2) | 34.4 |
| 7 (CH) | 40.5 |
| 8 (CH2) | 31.2 |
| 9 (CH2) | 30.4 |
| 10 (C) | 145.1 |
| 11 (C) | 147 |
| 12 (CH3) | 19.4 |
| 13 (CH2) | 110.6 |
| 14 (CH2) | 116.7 |
| 15 (CH2) | 117 |
| 1a (C) | 170 |
| 1b (CH3) | 21.3 |
| 5a (C) | 170 |
| 5b (CH3) | 21.3 |
