Spektraris NMR
Crassinervic acid
Common Name: Crassinervic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-11(2)5-4-8-17(3,22)10-15(19)13-9-12(16(20)21)6-7-14(13)18/h5-7,9,18,22H,4,8,10H2,1-3H3,(H,20,21)
InChIKey: InChIKey=YHANYRDRFGGDNZ-UHFFFAOYSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lago, J.H., Ramos, C.S., Casanova, D.C., Morandim Ade, A., Bergamo, D.C., Cavalheiro, A.J., Bolzani Vda, S., Furlan, M., Guimaraes, E.F., Young, M.C., Kato, M.J. J Nat Prod (2004) 67, 1783-8
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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) | 191.5 |
| 2 (CH2) | 47.2 |
| 3 (C) | 82.3 |
| 4 (CH2) | 39.3 |
| 5 (CH2) | 22.2 |
| 6 (CH) | 122.9 |
| 7 (C) | 132.5 |
| 8 (CH3) | 25.6 |
| 9 (CH3) | 17.5 |
| 10 (CH3) | 23.9 |
| 1' (C) | 122.1 |
| 2' (C) | 163.7 |
| 3' (CH) | 118.8 |
| 4' (CH) | 137.3 |
| 5' (C) | 119.9 |
| 6' (CH) | 129.9 |
| 5'a (C) | 170.6 |
