Spektraris NMR
3β-(acetyloxy)-6β-(2-methylbutanoyloxy)-10β-hydroxyeremophil-7(11)-en-12,8α-olide
Common Name: 3β-(acetyloxy)-6β-(2-methylbutanoyloxy)-10β-hydroxyeremophil-7(11)-en-12,8α-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-7-11(2)19(24)29-18-17-12(3)20(25)28-16(17)10-22(26)9-8-15(27-14(5)23)13(4)21(18,22)6/h11,13,15-16,18,26H,7-10H2,1-6H3/t11?,13-,15-,16-,18+,21-,22-/m0/s1
InChIKey: InChIKey=NQUDNNNRNDPWFZ-HGBUQKSKSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2009) 92, 357-61
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 32.9 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 74.8 |
| 4 (CH) | 37.4 |
| 5 (C) | 47.9 |
| 6 (CH) | 71.4 |
| 7 (C) | 158.3 |
| 8 (CH) | 78.4 |
| 9 (CH2) | 42 |
| 10 (C) | 75.6 |
| 11 (C) | 126.2 |
| 12 (C) | 176.3 |
| 13 (CH3) | 9 |
| 14 (CH3) | 13 |
| 15 (CH3) | 13.3 |
| 3a (C) | 172.3 |
| 3b (CH3) | 21.3 |
| 6a (C) | 177.7 |
| 6b (CH) | 42.5 |
| 6c (CH2) | 27.9 |
| 6d (CH3) | 11.9 |
| 62a (CH3) | 17.1 |
