Spektraris NMR
Isodesacetylplectranthone
Common Name: Isodesacetylplectranthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-10(2)14-5-6-17(9-21-12(4)18)8-13(19)7-11(3)15(17)16(14)20/h7,10,14-16,20H,5-6,8-9H2,1-4H3/t14-,15-,16+,17-/m0/s1
InChIKey: InChIKey=PWOKMCFWNPPAQN-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) | 46.9 |
| 2 (C) | 197.9 |
| 3 (CH) | 127.4 |
| 4 (C) | 160 |
| 5 (CH) | 48.1 |
| 6 (CH) | 67.4 |
| 7 (CH) | 44.5 |
| 8 (CH2) | 20 |
| 9 (CH2) | 28.3 |
| 10 (C) | 38.7 |
| 11 (CH) | 28.3 |
| 12 (CH3) | 20 |
| 13 (CH3) | 21 |
| 14 (CH2) | 69.2 |
| 15 (CH3) | 23.2 |
| 14a (C) | 170.7 |
| 14b (CH3) | 21.1 |
