Spektraris NMR
8β-Ethoxyeremophil-3,7(11)-diene-8α,12(6α,15)-diolide
Common Name: 8β-Ethoxyeremophil-3,7(11)-diene-8α,12(6α,15)-diolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O5/c1-4-20-17-8-10-6-5-7-11-15(19)21-13(16(10,11)3)12(17)9(2)14(18)22-17/h7,10,13H,4-6,8H2,1-3H3/t10-,13+,16+,17+/m1/s1
InChIKey: InChIKey=WNKFDRIAIQEEOT-RBKFWEOPSA-N
Formula: C17H20O5
Molecular Weight: 304.33835
Exact Mass: 304.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fei, D.Q., Li, S.G., Liu, C.M., Wu, G., Gao, K. J Nat Prod (2007) 70, 241-5
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) | 21.5 |
| 2 (CH2) | 21.7 |
| 3 (CH) | 137 |
| 4 (C) | 130 |
| 5 (C) | 44 |
| 6 (CH) | 82.3 |
| 7 (C) | 152.8 |
| 8 (C) | 105.1 |
| 9 (CH2) | 35.6 |
| 10 (CH) | 33 |
| 11 (C) | 128.3 |
| 12 (C) | 170.5 |
| 13 (CH3) | 9.1 |
| 14 (CH3) | 26.9 |
| 15 (C) | 168.5 |
| 8a (CH2) | 59.2 |
| 8b (CH3) | 15.1 |
