Spektraris NMR
(16S)-Methyl Ether Leucasdin A
Common Name: (16S)-Methyl Ether Leucasdin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O5/c1-13-12-14(22)16-18(2,3)15(23)6-7-19(16,4)21(13)9-8-20(26-21)10-11-25-17(20)24-5/h13-17,22-23H,6-12H2,1-5H3/t13-,14-,15+,16+,17+,19+,20-,21-/m1/s1
InChIKey: InChIKey=PMOTYDPLIWAWKA-VYOPOWFHSA-N
Formula: C21H36O5
Molecular Weight: 368.508346
Exact Mass: 368.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miyaichi, Y., Segawa, A., Tomimori, T. Chem Pharm Bull (2006) 54, 1370-9
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) | 30.7 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 78.7 |
| 4 (C) | 39.8 |
| 5 (CH) | 48.9 |
| 6 (CH) | 68.2 |
| 7 (CH2) | 41 |
| 8 (CH) | 30.4 |
| 9 (C) | 93.4 |
| 10 (C) | 42.7 |
| 11 (CH2) | 29.7 |
| 12 (CH2) | 37.7 |
| 13 (C) | 92.1 |
| 14 (CH2) | 32 |
| 15 (CH2) | 65.8 |
| 16 (CH) | 107.6 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 20.5 |
| 16a (CH3) | 54.8 |
