Spektraris NMR
seco-Labdane
Common Name: seco-Labdane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-5-15(21)16-17-18(2,3)9-6-10-19(17,4)20(22,24-16)11-7-14-8-12-23-13-14/h8,12-13,16-17,22H,5-7,9-11H2,1-4H3/t16-,17+,19+,20-/m1/s1
InChIKey: InChIKey=HYQRWBLNVVMQFF-LCLWPZTBSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rustaiyan, A., Mossleminkupaii, M.H., Papastergiou, F., Jakupovic, J. Phytochemistry (1995) 40, 875-9
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) | 31.8 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 41.3 |
| 4 (C) | 32.3 |
| 5 (CH) | 55.6 |
| 6 (CH) | 81.8 |
| 7 (C) | 214.8 |
| 8 (CH2) | 32.4 |
| 9 (C) | 108 |
| 10 (C) | 48.9 |
| 11 (CH2) | 36 |
| 12 (CH2) | 18.7 |
| 13 (C) | 124.8 |
| 14 (CH) | 110.8 |
| 15 (CH) | 142.8 |
| 16 (CH) | 138.6 |
| 17 (CH3) | 7.5 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 22 |
| 20 (CH3) | 16.8 |
