Spektraris NMR
Desacetylplectranthone
Common Name: Desacetylplectranthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-10(2)14-5-6-17(9-18)8-13(20)7-11(3)15(17)16(14)21-12(4)19/h7,10,14-16,18H,5-6,8-9H2,1-4H3/t14-,15-,16+,17-/m0/s1
InChIKey: InChIKey=OAASJLOTHOKQQN-NXOAAHMSSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Orabi, K.Y., Mossa, J.S., Muhammed, I., Alloush, M.H., Galal, A.M., El-Feraly, F.S., McPhail, A.T. J Nat Prod (2000) 63, 1665-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 47.3 |
| 2 (C) | 198.9 |
| 3 (CH) | 127.7 |
| 4 (C) | 159 |
| 5 (CH) | 42.6 |
| 6 (CH) | 71 |
| 7 (CH) | 42.5 |
| 8 (CH2) | 20.7 |
| 9 (CH2) | 28.3 |
| 10 (C) | 40.3 |
| 11 (CH) | 28.5 |
| 12 (CH3) | 20.6 |
| 13 (CH3) | 20.9 |
| 14 (CH2) | 66.2 |
| 15 (CH3) | 22.8 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.5 |
