Spektraris NMR
Milicifoline A
Common Name: Milicifoline A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42O7/c1-19-14-28-33(3,18-26(19)40)10-12-36(6)29-17-24(38)30-20(2)31(43-32(41)21-8-9-23(37)27(15-21)42-7)25(39)16-22(30)34(29,4)11-13-35(28,36)5/h8-9,15-17,19,28,37,39H,10-14,18H2,1-7H3/t19-,28-,33+,34+,35+,36-/m1/s1
InChIKey: InChIKey=XFQFUOBIKODHGY-DQIHTCDUSA-N
Formula: C36H42O7
Molecular Weight: 586.715838
Exact Mass: 586.293054
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) | 108.8 |
| 2 (C) | 148.2 |
| 3 (C) | 140.7 |
| 4 (C) | 125.6 |
| 5 (C) | 122.5 |
| 6 (C) | 187.7 |
| 7 (CH) | 125.9 |
| 8 (C) | 171.3 |
| 9 (C) | 40.3 |
| 10 (C) | 151.7 |
| 11 (CH2) | 34.3 |
| 12 (CH2) | 30.2 |
| 13 (C) | 40.1 |
| 14 (C) | 44.4 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 35.5 |
| 17 (C) | 38.2 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 32 |
| 20 (CH) | 41.9 |
| 21 (C) | 214 |
| 22 (CH2) | 52.6 |
| 23 (CH3) | 13.7 |
| 25 (CH3) | 38.5 |
| 26 (CH3) | 20.7 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 32.6 |
| 30 (CH3) | 15.1 |
| 3a (C) | 170 |
| 3b (C) | 121.3 |
| 3c (CH) | 112.2 |
| 3d (C) | 146.2 |
| 3e (C) | 150.8 |
| 3f (CH) | 125.2 |
| 3g (CH) | 114.2 |
| 3da (CH3) | 56.1 |
