Spektraris NMR
(1R,2R,4E,6R,7S)-4-Methyl-7-isopropyl-10-methylene-4-cyclodecene-1,2,6-triol 6-acetate
Common Name: (1R,2R,4E,6R,7S)-4-Methyl-7-isopropyl-10-methylene-4-cyclodecene-1,2,6-triol 6-acetate
Synonyms: (1R,2R,4E,6R,7S)-4-Methyl-7-isopropyl-10-methylene-4-cyclodecene-1,2,6-triol 6-acetate
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-10(2)14-7-6-12(4)17(20)15(19)8-11(3)9-16(14)21-13(5)18/h9-10,14-17,19-20H,4,6-8H2,1-3,5H3/b11-9+/t14-,15+,16-,17+/m0/s1
InChIKey: InChIKey=OXSNOTQALHXZEE-RVDXMTQWSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Barrero, A.F., Alvarez-Manzaneda, R., Quilez, J.F., Herrador, M.H. Phytochemistry (1998) 48, 807-13
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) | 77.8 |
| 2 (CH) | 73.1 |
| 3 (CH2) | 47.1 |
| 4 (C) | 130.1 |
| 5 (CH) | 131.9 |
| 6 (CH) | 72.8 |
| 7 (CH) | 43.7 |
| 8 (CH2) | 24.3 |
| 9 (CH2) | 36.3 |
| 10 (C) | 150.1 |
| 11 (CH) | 31.7 |
| 12 (CH3) | 21.1 |
| 13 (CH3) | 21.2 |
| 14 (CH2) | 113.1 |
| 15 (CH3) | 17.9 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21 |
