Spektraris NMR
Leucasdin A
Common Name: Leucasdin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O8/c1-15-13-18(30-14-26)20-22(4,5)19(31-16(2)27)7-8-23(20,6)25(15)10-9-24(33-25)11-12-29-21(24)32-17(3)28/h14-15,18-21H,7-13H2,1-6H3/t15-,18-,19+,20+,21+,23+,24-,25-/m1/s1
InChIKey: InChIKey=WZISBLRBOQCBRZ-SUZQKCODSA-N
Formula: C25H38O8
Molecular Weight: 466.565385
Exact Mass: 466.256668
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) | 30.3 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.2 |
| 4 (C) | 38.4 |
| 5 (CH) | 48.1 |
| 6 (CH) | 70.4 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 31.3 |
| 9 (C) | 92.9 |
| 10 (C) | 42.3 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 36.9 |
| 13 (C) | 89.3 |
| 14 (CH2) | 34.7 |
| 15 (CH2) | 65.7 |
| 16 (CH) | 96.7 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 27.5 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 19.7 |
| 3a (C) | 170.5 |
| 3b (CH3) | 21.2 |
| 6a (CH) | 160.8 |
| 16a (C) | 171.2 |
| 16b (CH3) | 21.2 |
