Spektraris NMR
Acetoxysantamarin
Common Name: Acetoxysantamarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O4/c1-9-5-6-13(20-11(3)18)17(4)8-7-12-10(2)16(19)21-15(12)14(9)17/h5,12-15H,2,6-8H2,1,3-4H3/t12-,13+,14+,15-,17-/m0/s1
InChIKey: InChIKey=LKFBBERJIDNRJN-CLBVLKOUSA-N
Formula: C17H22O4
Molecular Weight: 290.354827
Exact Mass: 290.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, F., Xu, H., He, E.Q., Jiang, Y.T., Liu, K. J Asian Nat Prod Res (2008) 10, 1045-53
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 76.7 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 120.9 |
| 4 (C) | 133.3 |
| 5 (CH) | 50.9 |
| 6 (CH) | 81.1 |
| 7 (CH) | 51 |
| 8 (CH2) | 21 |
| 9 (CH2) | 34.1 |
| 10 (C) | 39.7 |
| 11 (C) | 138.8 |
| 12 (C) | 170.6 |
| 13 (CH2) | 116.9 |
| 14 (CH3) | 12.3 |
| 15 (CH3) | 23.3 |
| 1a (C) | 170.6 |
| 1b (CH3) | 21.1 |
