Spektraris NMR
Plectranthone
Common Name: Plectranthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O5/c1-11(2)16-6-7-19(10-23-13(4)20)9-15(22)8-12(3)17(19)18(16)24-14(5)21/h8,11,16-18H,6-7,9-10H2,1-5H3/t16-,17-,18+,19-/m0/s1
InChIKey: InChIKey=SVEJFWCDTHHUNF-OKYOBFRVSA-N
Formula: C19H28O5
Molecular Weight: 336.423348
Exact Mass: 336.193674
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) | 47.8 |
| 2 (C) | 198.4 |
| 3 (CH) | 128.7 |
| 4 (C) | 158 |
| 5 (CH) | 44 |
| 6 (CH) | 71.6 |
| 7 (CH) | 43.2 |
| 8 (CH2) | 20.9 |
| 9 (CH2) | 28.8 |
| 10 (C) | 38.6 |
| 11 (CH) | 29.1 |
| 12 (CH3) | 21.1 |
| 13 (CH3) | 21.2 |
| 14 (CH2) | 69.7 |
| 15 (CH3) | 23.2 |
| 6a (C) | 171.2 |
| 6b (CH3) | 21.5 |
| 14a (C) | 170.8 |
| 14b (CH3) | 21.5 |
