Spektraris NMR
1a-Trihydroxyserrulatane
Common Name: 1a-Trihydroxyserrulatane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12(2)6-5-7-14(4)19-16-8-13(3)9-17(22)20(16)15(11-21)10-18(19)23/h6,8-9,14-15,18-19,21-23H,5,7,10-11H2,1-4H3/t14-,15+,18+,19-/m0/s1
InChIKey: InChIKey=XLAPEKIPYDGJDW-SFUIVIKGSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Syah, Y.M., Ghisalberti, E.L. Phytochemistry (1997) 45, 1479-82
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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) | 35 |
| 2 (CH2) | 31.8 |
| 3 (CH) | 67.1 |
| 4 (CH) | 48.7 |
| 5 (CH) | 122.3 |
| 6 (C) | 136.9 |
| 7 (CH) | 115.8 |
| 8 (C) | 154.7 |
| 9 (C) | 121.4 |
| 10 (C) | 138.6 |
| 11 (CH) | 30.7 |
| 12 (CH2) | 37 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 124.7 |
| 15 (C) | 131.6 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 17.7 |
| 18 (CH3) | 19 |
| 19 (CH3) | 21.1 |
| 20 (CH2) | 69.1 |
