Spektraris NMR
4,5-Didehydro-6alpha,11-dihydroxy-4-methyl-15-norambrosan-3-one
Common Name: 4,5-Didehydro-6alpha,11-dihydroxy-4-methyl-15-norambrosan-3-one
Synonyms: 4,5-Didehydro-6alpha,11-dihydroxy-4-methyl-15-norambrosan-3-one
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-8-5-6-11(15(3,4)18)14(17)13-9(2)12(16)7-10(8)13/h8,10-11,14,17-18H,5-7H2,1-4H3/t8-,10-,11+,14-/m0/s1
InChIKey: InChIKey=NGTRXUGCKRCAQE-CBRVECNMSA-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 (CH) | 42.9 |
| 2 (CH2) | 40.4 |
| 3 (C) | 210.5 |
| 4 (C) | 139.2 |
| 5 (C) | 173.9 |
| 6 (CH) | 70 |
| 7 (CH) | 53.1 |
| 8 (CH2) | 21.9 |
| 9 (CH2) | 34.2 |
| 10 (CH) | 33.6 |
| 11 (C) | 74 |
| 12 (CH3) | 28.7 |
| 13 (CH3) | 23.3 |
| 14 (CH3) | 13.7 |
| 15 (CH3) | 7.2 |
