Spektraris NMR
ent-Sclareol
Common Name: ent-Sclareol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m1/s1
InChIKey: InChIKey=XVULBTBTFGYVRC-LHDHZVESSA-N
Formula: C20H36O2
Molecular Weight: 308.499395
Exact Mass: 308.27153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torrenegra, R., Robles, J., Waibel, R., Lowel, M., Achenbach, H. Phytochemistry (1994) 35, 195-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 44.4 |
| 8 (C) | 74.7 |
| 9 (CH) | 61.6 |
| 10 (C) | 39.2 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 45 |
| 13 (C) | 73.6 |
| 14 (CH) | 145.9 |
| 15 (CH2) | 111.2 |
| 16 (CH3) | 27.3 |
| 17 (CH3) | 24.2 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 15.4 |
