Spektraris NMR
Gaudichaudianic acid
Common Name: Gaudichaudianic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O3/c1-15(2)7-6-11-22(5)12-10-18-14-19(21(23)24)13-17(20(18)25-22)9-8-16(3)4/h7-8,10,12-14H,6,9,11H2,1-5H3,(H,23,24)/t22-/m0/s1
InChIKey: InChIKey=TXHBNVYFCZMCPB-QFIPXVFZSA-N
Formula: C22H28O3
Molecular Weight: 340.456746
Exact Mass: 340.203845
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 (CH) | 121.9 |
| 2 (CH) | 129.5 |
| 3 (C) | 79.9 |
| 4 (CH2) | 41.9 |
| 5 (CH2) | 22.7 |
| 6 (CH) | 123.9 |
| 7 (C) | 131.8 |
| 8 (CH3) | 25.6 |
| 9 (CH3) | 17.6 |
| 10 (CH3) | 26.9 |
| 1' (C) | 120.6 |
| 2' (C) | 155.8 |
| 3' (C) | 128.9 |
| 4' (CH) | 131.8 |
| 5' (C) | 120.8 |
| 6' (CH) | 126.7 |
| 1'' (CH2) | 28.2 |
| 2'' (CH) | 121.9 |
| 3'' (C) | 132.6 |
| 4'' (CH3) | 25.8 |
| 5'' (CH3) | 17.3 |
| 5'a (C) | 172.1 |
