Spektraris NMR
4,5-Didehydro-1beta,11-dihydroxy-4-methyl-15-norambrosan-3-one
Common Name: 4,5-Didehydro-1beta,11-dihydroxy-4-methyl-15-norambrosan-3-one
Synonyms: 4,5-Didehydro-1beta,11-dihydroxy-4-methyl-15-norambrosan-3-one
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9-5-6-11(14(3,4)17)7-12-10(2)13(16)8-15(9,12)18/h9,11,17-18H,5-8H2,1-4H3/t9-,11+,15-/m0/s1
InChIKey: InChIKey=SMEFKWNTSRXSLE-ISOBSLSZSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Labbe, C., Faini, F., Coll, J., Carbonell, P. Phytochemistry (1998) 49, 793-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 79.4 |
| 2 (CH2) | 50.4 |
| 3 (C) | 205.9 |
| 4 (C) | 136.5 |
| 5 (C) | 174.5 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 45.1 |
| 8 (CH2) | 27.3 |
| 9 (CH2) | 27.1 |
| 10 (CH) | 44.4 |
| 11 (C) | 73.8 |
| 12 (CH3) | 27.5 |
| 13 (CH3) | 26.2 |
| 14 (CH3) | 17.7 |
| 15 (CH3) | 7.6 |
