Spektraris NMR
2a-Acetoxy-5a-hydroxy-11aH-eudesma-4(15)-en-12,8b-olide
Common Name: 2a-Acetoxy-5a-hydroxy-11aH-eudesma-4(15)-en-12,8b-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O5/c1-9-5-12(21-11(3)18)6-16(4)8-14-13(7-17(9,16)20)10(2)15(19)22-14/h10,12-14,20H,1,5-8H2,2-4H3/t10-,12-,13+,14+,16+,17+/m0/s1
InChIKey: InChIKey=DXHAVLXFSGUHRS-MRKGBVMWSA-N
Formula: C17H24O5
Molecular Weight: 308.370113
Exact Mass: 308.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, C., Shi, Y.P., Jia, Z.J. Planta Med (2002) 68, 626-30
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 (CH2) | 40 |
| 2 (CH) | 69.2 |
| 3 (CH2) | 37.2 |
| 4 (C) | 147.5 |
| 5 (C) | 73.3 |
| 6 (CH2) | 27.3 |
| 7 (CH) | 37 |
| 8 (CH) | 77.5 |
| 9 (CH2) | 35.4 |
| 10 (C) | 37.1 |
| 11 (CH) | 41 |
| 12 (C) | 179.1 |
| 13 (CH3) | 9.4 |
| 14 (CH3) | 22.3 |
| 15 (CH2) | 111.9 |
| 2a (C) | 170.4 |
| 2b (CH3) | 21.3 |
