Spektraris NMR
Lindenenyl acetate
Common Name: Lindenenyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O3/c1-8-7-19-13-6-17(4)12-5-11(12)9(2)15(17)16(14(8)13)20-10(3)18/h7,11-12,15-16H,2,5-6H2,1,3-4H3/t11?,12?,15-,16+,17+/m1/s1
InChIKey: InChIKey=ICLTVELXFUIGLS-ZKWHBRCNSA-N
Formula: C17H20O3
Molecular Weight: 272.33954
Exact Mass: 272.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tori, K., Ueyama, M., Horibe, I., Tamura, Y., Takeda, K.I. Tetrahedron Lett (1975) 16, 4583
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) | 27.2 |
| 2 (CH2) | 16.7 |
| 3 (CH) | 23.1 |
| 4 (C) | 149 |
| 5 (CH) | 64.8 |
| 6 (CH) | 65.8 |
| 7 (C) | 117.7 |
| 8 (C) | 153.7 |
| 9 (CH2) | 38.3 |
| 10 (C) | 41.6 |
| 11 (C) | 119.2 |
| 12 (CH) | 138.8 |
| 13 (CH3) | 8.7 |
| 14 (CH3) | 18.3 |
| 15 (CH2) | 107.9 |
| 6a (C) | 171 |
| 6b (CH3) | 21.1 |
