Spektraris NMR
3,20-Ditrimethylsilyl Leucastrin A
Common Name: 3,20-Ditrimethylsilyl Leucastrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H70O2Si2/c1-26(2)27(3)18-25-37(9,39-41(13,14)15)29-19-23-35(7)28(29)16-17-31-34(6)22-21-32(38-40(10,11)12)33(4,5)30(34)20-24-36(31,35)8/h27-32H,1,16-25H2,2-15H3/t27-,28+,29-,30-,31-,32-,34-,35-,36-,37-/m0/s1
InChIKey: InChIKey=IFAPJRYFRAWZQZ-MMQCUDKVSA-N
Formula: C37H70O2S2
Molecular Weight: 611.08406
Exact Mass: 610.481723
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 : Triterpenoids, Group : Lanostanes; 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) | 33 |
| 2 (CH2) | 30.7 |
| 3 (CH) | 80.1 |
| 4 (C) | 39.6 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35 |
| 8 (C) | 39.9 |
| 9 (CH) | 45.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 43.8 |
| 14 (C) | 50.1 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 47.8 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 22.6 |
| 20 (C) | 78.5 |
| 21 (CH3) | 28.3 |
| 22 (CH2) | 41.8 |
| 23 (CH2) | 29.7 |
| 24 (CH) | 41.9 |
| 25 (C) | 150 |
| 26 (CH2) | 109.4 |
| 27 (CH3) | 19 |
| 28 (CH3) | 29.5 |
| 29 (CH3) | 16.6 |
| 30 (CH3) | 17.6 |
| 3a (CH3) | 0.6 |
| 3b (CH3) | 0.6 |
| 3c (CH3) | 0.6 |
| 20a (CH3) | 2.9 |
| 20b (CH3) | 2.9 |
| 20c (CH3) | 2.9 |
| 24a (CH3) | 19.7 |
