Spektraris NMR
Leucasdin C Methyl Ester
Common Name: Leucasdin C Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-13(2)21(24)12-14-7-8-16-19(3,15(14)11-17(21)22)9-6-10-20(16,4)18(23)25-5/h7,13,15-17,22,24H,6,8-12H2,1-5H3/t15-,16+,17+,19+,20+,21+/m0/s1
InChIKey: InChIKey=XAOLXTHJHROOHO-GQENOEBFSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
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) | 38.9 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 37.1 |
| 4 (C) | 46.5 |
| 5 (CH) | 45 |
| 6 (CH2) | 25.4 |
| 7 (CH) | 123.9 |
| 8 (C) | 133 |
| 9 (CH) | 50.2 |
| 10 (C) | 35 |
| 11 (CH2) | 29.6 |
| 12 (CH) | 71.3 |
| 13 (C) | 75.5 |
| 14 (CH2) | 37 |
| 15 (CH) | 32.5 |
| 16 (CH3) | 16.4 |
| 17 (CH3) | 17.7 |
| 18 (C) | 179.1 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.4 |
| 18a (CH3) | 52 |
