Spektraris NMR
6-O-Angeloylplenolin
Common Name: 6-O-Angeloylplenolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h6-8,11-14,16-17H,9H2,1-5H3/b10-6-/t11-,12+,13+,14?,16?,17+,20+/m1/s1
InChIKey: InChIKey=KUPPZVXLWANEJJ-CQSMHUFNSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Itoigawa, M., Kumagai, N., Sekiya, H., Ito, K., Furukawa, H. J Pharm Soc Jnp (1981) 101, 605
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Ambrosanes; 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) | 54.2 |
| 2 (CH) | 161.4 |
| 3 (CH) | 129.3 |
| 4 (C) | 208.9 |
| 5 (C) | 54.8 |
| 6 (CH) | 71.7 |
| 7 (CH) | 48.8 |
| 8 (CH) | 79.3 |
| 9 (CH2) | 41 |
| 10 (CH) | 25.8 |
| 11 (CH) | 40.4 |
| 12 (C) | 178.5 |
| 13 (CH3) | 11 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 17.6 |
| 6a (C) | 165.9 |
| 6b (C) | 127 |
| 6c (CH) | 138.6 |
| 6d (CH3) | 20.4 |
| 6ba (CH3) | 15.6 |
