Spektraris NMR
Incisumdiol A
Common Name: Incisumdiol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-9(2)14-13(21-11(4)18)8-10(3)12-6-7-17(5,20)15(12)16(14)19/h8-9,12-16,19-20H,6-7H2,1-5H3/t12-,13+,14-,15-,16-,17+/m0/s1
InChIKey: InChIKey=MATOAFSNYVPNMQ-FHULIHMCSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S.B., Zhao, Y., Fan, H., Hu, Y.H., Hamann, M.T., Peng, J.N., Starks, C.M., O'Neil-Johnson, M., Hu, J.F. Planta Med (2008) 74, 1812-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 |
| 2 (CH2) | 24.3 |
| 3 (CH2) | 37.8 |
| 4 (C) | 59.7 |
| 5 (CH) | 68.4 |
| 6 (CH) | 71 |
| 7 (CH) | 50.1 |
| 8 (CH) | 73.1 |
| 9 (CH) | 128.1 |
| 10 (C) | 129.8 |
| 11 (CH) | 26.1 |
| 12 (CH3) | 23.4 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 16.1 |
| 8a (C) | 172.3 |
| 8b (CH3) | 21.1 |
