Spektraris NMR
Milicifoline B
Common Name: Milicifoline B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H58O3/c1-25(2)30-12-11-27(4)42-16-15-28(5)43(42,23-30)46-37-29(6)31-13-14-35-39(8,32(31)22-34(37)45-42)18-20-41(10)36-21-26(3)33(44)24-38(36,7)17-19-40(35,41)9/h13-15,22,26-27,30,35-36H,1,11-12,16-21,23-24H2,2-10H3/t26-,27?,30?,35+,36-,38+,39+,40-,41+,42+,43+/m1/s1
InChIKey: InChIKey=LKMJXPLHBAYNQG-MTQJZILNSA-N
Formula: C43H58O3
Molecular Weight: 622.920422
Exact Mass: 622.438596
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gutierrez, F., Estevez-Braun, A., Ravelo, A.G., Astudillo, L., Zarate, R. J Nat Prod (2007) 70, 1049-52
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Quinonemethides; 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 (CH) | 109 |
| 2 (C) | 145.1 |
| 3 (C) | 142.8 |
| 4 (C) | 122.5 |
| 5 (C) | 125.7 |
| 6 (CH) | 124.6 |
| 7 (CH) | 128.3 |
| 8 (CH) | 44.9 |
| 9 (C) | 39.4 |
| 10 (C) | 143.3 |
| 11 (CH2) | 31.7 |
| 12 (CH2) | 29.9 |
| 13 (C) | 38.3 |
| 14 (C) | 32.8 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.3 |
| 17 (C) | 35.4 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 31 |
| 20 (CH) | 40.1 |
| 21 (C) | 214.3 |
| 22 (CH2) | 53.9 |
| 23 (CH3) | 10.8 |
| 25 (CH3) | 32.8 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 22.7 |
| 30 (CH3) | 15.1 |
| 1' (C) | 92.9 |
| 2' (CH2) | 38.4 |
| 3' (CH) | 128.2 |
| 4' (C) | 140.6 |
| 5' (C) | 96.8 |
| 6' (CH2) | 38.2 |
| 7' (CH) | 43.6 |
| 8' (CH2) | 35.7 |
| 9' (CH2) | 32.7 |
| 10' (CH) | 42.2 |
| 11' (C) | 151.2 |
| 12' (CH2) | 108.6 |
| 13' (CH3) | 19.9 |
| 14' (CH3) | 19 |
| 15' (CH3) | 12.5 |
