Spektraris NMR
Carnosolon
Common Name: Carnosolon
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-10(2)11-8-12-13(15(22)14(11)21)19-7-5-6-18(3,4)17(19)20(24,16(12)23)25-9-19/h8,10,17,21-22,24H,5-7,9H2,1-4H3/t17-,19-,20+/m0/s1
InChIKey: InChIKey=QSIDWHUMYVSCLI-YSIASYRMSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Horvath, T., Linden, A., Yoshizaki, F., Eugster, C.H., Ruedi, P. Helv Chim Acta (2004) 87, 2346-53
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 29.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.2 |
| 4 (C) | 32.2 |
| 5 (CH) | 58.2 |
| 6 (C) | 105.1 |
| 7 (C) | 192.6 |
| 8 (C) | 121.5 |
| 9 (C) | 137.4 |
| 10 (C) | 51.4 |
| 11 (C) | 140.2 |
| 12 (C) | 147.7 |
| 13 (C) | 133 |
| 14 (CH) | 120 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 22.28 |
| 17 (CH3) | 22.33 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22 |
| 20 (CH2) | 72 |
