Spektraris NMR
Sarcoglaucol-16-one
Common Name: Sarcoglaucol-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-13-7-5-9-16(21(24)25-4)10-6-8-14(2)18(22)12-17-15(3)20(23)26-19(17)11-13/h8-9,11,18-19,22H,5-7,10,12H2,1-4H3/b13-11+,14-8+,16-9+/t18-,19-/m0/s1
InChIKey: InChIKey=QXZPKAWLIRITRB-YANHPJQBSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gross, H., Kehraus, S., Nett, M., Konig, G.M., Beil, W., Wright, A.D. Org Biomol Chem (2003) 1, 944-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 163.8 |
| 2 (CH) | 80.3 |
| 3 (CH) | 122 |
| 4 (C) | 147 |
| 5 (CH2) | 39.5 |
| 6 (CH2) | 27.4 |
| 7 (CH) | 143.7 |
| 8 (C) | 132 |
| 9 (CH2) | 36.5 |
| 10 (CH2) | 25 |
| 11 (CH) | 126.1 |
| 12 (C) | 139.9 |
| 13 (CH) | 77.7 |
| 14 (CH2) | 36.9 |
| 15 (C) | 125.1 |
| 16 (C) | 177.2 |
| 17 (CH3) | 8.8 |
| 18 (CH3) | 15.7 |
| 19 (C) | 169.6 |
| 20 (CH3) | 9.9 |
| 19a (CH3) | 51.7 |
