Spektraris NMR
13-Dehydroxysarcoglaucol-16-one
Common Name: 13-Dehydroxysarcoglaucol-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-14-7-5-9-17(21(23)24-4)10-6-8-15(2)13-19-18(12-11-14)16(3)20(22)25-19/h7,10,13,19H,5-6,8-9,11-12H2,1-4H3/b14-7+,15-13+,17-10+/t19-/m0/s1
InChIKey: InChIKey=PZKDCLXDYUUGHO-VQHDXNGHSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
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) | 166 |
| 2 (CH) | 81.1 |
| 3 (CH) | 121.1 |
| 4 (C) | 146.2 |
| 5 (CH2) | 39.6 |
| 6 (CH2) | 27.3 |
| 7 (CH) | 143.9 |
| 8 (C) | 132 |
| 9 (CH2) | 36.2 |
| 10 (CH2) | 25.7 |
| 11 (CH) | 124.7 |
| 12 (C) | 136.4 |
| 13 (CH2) | 37.2 |
| 14 (CH2) | 27.7 |
| 15 (C) | 123.1 |
| 16 (C) | 177.5 |
| 17 (CH3) | 8.8 |
| 18 (CH3) | 16.1 |
| 19 (C) | 169.7 |
| 20 (CH3) | 16 |
| 19a (CH3) | 51.7 |
