Spektraris NMR
Sinugibberodiol diacetate
Common Name: Sinugibberodiol diacetate
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-/m0/s1
InChIKey: InChIKey=VCCQYOUFYQWLLH-FHWLQOOXSA-N
Formula: C19H28O4
Molecular Weight: 320.423943
Exact Mass: 320.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Kuo, Y.H., Dai, C.F., Sheu, J.H. J Nat Prod (2005) 68, 1208-12
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 (CH2) | 24.7 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 76 |
| 4 (C) | 144.9 |
| 5 (CH2) | 30.4 |
| 6 (CH2) | 31.1 |
| 7 (CH) | 40.5 |
| 8 (CH2) | 34.3 |
| 9 (CH) | 78.4 |
| 10 (C) | 145 |
| 11 (C) | 148.1 |
| 12 (CH2) | 110.6 |
| 13 (CH3) | 19.3 |
| 14 (CH2) | 117 |
| 15 (CH2) | 116.8 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.4 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.4 |
