Spektraris NMR
Milicifoline C
Common Name: Milicifoline C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H56O4/c1-24(2)29-12-11-26(4)42-14-13-27(5)43(42,22-29)46-33-20-30-36(28(6)37(33)47-42)31(44)21-35-39(30,8)16-18-40(9)34-19-25(3)32(45)23-38(34,7)15-17-41(35,40)10/h13,20-21,25-26,29,34H,1,11-12,14-19,22-23H2,2-10H3/t25-,26?,29?,34-,38+,39+,40+,41-,42+,43+/m1/s1
InChIKey: InChIKey=LOWWDIRSVDSRPS-FLHUEGQTSA-N
Formula: C43H56O4
Molecular Weight: 636.903945
Exact Mass: 636.41786
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) | 111.4 |
| 2 (C) | 149.7 |
| 3 (C) | 143.3 |
| 4 (C) | 125.2 |
| 5 (C) | 122.4 |
| 6 (C) | 187.5 |
| 7 (CH) | 126.2 |
| 8 (C) | 170.2 |
| 9 (C) | 39.3 |
| 10 (C) | 151.7 |
| 11 (CH2) | 34.3 |
| 12 (CH2) | 30.2 |
| 13 (C) | 39.9 |
| 14 (C) | 44.3 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 35.6 |
| 17 (C) | 38.2 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 32 |
| 20 (CH) | 41.9 |
| 21 (C) | 213.7 |
| 22 (CH2) | 52.6 |
| 23 (CH3) | 13.2 |
| 25 (CH3) | 38.7 |
| 26 (CH3) | 20.8 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 32.6 |
| 30 (CH3) | 15.1 |
| 1' (C) | 92.8 |
| 2' (CH2) | 38.8 |
| 3' (CH) | 128.1 |
| 4' (C) | 140.7 |
| 5' (C) | 96.8 |
| 6' (CH2) | 38.4 |
| 7' (CH) | 43.3 |
| 8' (CH2) | 35.4 |
| 9' (CH2) | 33 |
| 10' (CH) | 39.3 |
| 11' (C) | 150.9 |
| 12' (CH2) | 108.8 |
| 13' (CH3) | 20 |
| 14' (CH3) | 19.1 |
| 15' (CH3) | 12.4 |
