Spektraris NMR
rel-2R-Methyl-5S-acetoxy-4R-furanogermacr-1(10)Zen-6-one
Common Name: rel-2R-Methyl-5S-acetoxy-4R-furanogermacr-1(10)Zen-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O5/c1-10-6-14(21-5)8-11(2)18(23-13(4)19)17(20)16-12(3)9-22-15(16)7-10/h6,9,11,14,18H,7-8H2,1-5H3/b10-6-/t11-,14+,18-/m1/s1
InChIKey: InChIKey=DCFSJMWNJKXQCQ-QDAPUPDGSA-N
Formula: C18H24O5
Molecular Weight: 320.380849
Exact Mass: 320.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhu, N., Kikuzaki, H., Sheng, S., Sang, S., Rafi, M.M., Wang, M., Nakatani, N., DiPaola, R.S., Rosen, R.T., Ho, C.T. J Nat Prod (2001) 64, 1460-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 130.1 |
| 2 (CH) | 76.9 |
| 3 (CH2) | 39.6 |
| 4 (CH) | 32 |
| 5 (CH) | 76.7 |
| 6 (C) | 192.1 |
| 7 (C) | 123.9 |
| 8 (C) | 157.5 |
| 9 (CH2) | 34.7 |
| 10 (C) | 120.2 |
| 11 (C) | 118.3 |
| 12 (CH) | 139.5 |
| 13 (CH3) | 10.9 |
| 14 (CH3) | 14.6 |
| 15 (CH3) | 24.3 |
| 2a (CH3) | 57.3 |
| 5a (C) | 171.7 |
| 5b (CH3) | 21.1 |
