Spektraris NMR
8abeta-Hydroxy-4aalpha,5alpha-dimethyl-3beta,4beta-isopropylidenedecalin-1-one
Common Name: 8abeta-Hydroxy-4aalpha,5alpha-dimethyl-3beta,4beta-isopropylidenedecalin-1-one
Synonyms: 8abeta-Hydroxy-4aalpha,5alpha-dimethyl-3beta,4beta-isopropylidenedecalin-1-one
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9-6-5-7-15(17)11(16)8-10-12(13(10,2)3)14(9,15)4/h9-10,12,17H,5-8H2,1-4H3/t9-,10-,12+,14-,15+/m1/s1
InChIKey: InChIKey=HKWIVTLSWOJNKM-YGHJJULASA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ji, N.Y., Li, X.M., Ding, L.P., Wang, B.G. Helv Chim Acta (2007) 90, 385-91
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aristolanes; 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) | 30.8 |
| 2 (CH2) | 24.1 |
| 3 (CH2) | 30.3 |
| 4 (CH) | 36.3 |
| 5 (C) | 48 |
| 6 (CH) | 31 |
| 7 (CH) | 24.8 |
| 8 (CH2) | 35.7 |
| 9 (C) | 219.7 |
| 10 (C) | 77.7 |
| 11 (C) | 21.6 |
| 12 (CH3) | 17.3 |
| 13 (CH3) | 31 |
| 14 (CH3) | 18.8 |
| 15 (CH3) | 17.5 |
