Spektraris NMR
Leucastrin A
Common Name: Leucastrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22+,23-,24-,25-,26-,28-,29-,30-,31-/m0/s1
InChIKey: InChIKey=BPDZJMCTHRVRNC-VJZMJXIOSA-N
Formula: C31H54O2
Molecular Weight: 458.760423
Exact Mass: 458.412381
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 : Protostanes; 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) | 32.9 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 79.4 |
| 4 (C) | 39.2 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.1 |
| 8 (C) | 40 |
| 9 (CH) | 45.5 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 26.3 |
| 13 (CH) | 43.5 |
| 14 (C) | 50 |
| 15 (CH2) | 32.5 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 48.3 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 22.5 |
| 20 (C) | 75.2 |
| 21 (CH3) | 27.4 |
| 22 (CH2) | 40.2 |
| 23 (CH2) | 29.5 |
| 24 (CH) | 41.8 |
| 25 (C) | 149.9 |
| 26 (CH2) | 109.6 |
| 27 (CH3) | 18.9 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 16.1 |
| 30 (CH3) | 17.4 |
| 24a (CH3) | 19.9 |
