Spektraris NMR
3-Angeloyl-3-detigloylruageanin B
Common Name: 3-Angeloyl-3-detigloylruageanin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O10/c1-8-16(2)24(35)41-26-28(3,4)19(13-21(33)38-7)30(6)18-9-11-29(5)20(32(18)27(42-32)31(26,37)25(30)36)14-22(34)40-23(29)17-10-12-39-15-17/h8,10,12,15,18-20,23,26-27,37H,9,11,13-14H2,1-7H3/b16-8-/t18-,19+,20-,23+,26+,27-,29-,30-,31+,32-/m1/s1
InChIKey: InChIKey=RHNVFPUACKXTEQ-JBNRBXBPSA-N
Formula: C32H40O10
Molecular Weight: 584.655228
Exact Mass: 584.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coombes, P.H., Mulholland, D.A., Randrianarivelojosia, M. Phytochemistry (2005) 66, 1100-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 213.2 |
| 2 (C) | 78.5 |
| 3 (CH) | 84.7 |
| 4 (C) | 40.2 |
| 5 (CH) | 42.8 |
| 6 (CH2) | 33.4 |
| 7 (C) | 174 |
| 8 (C) | 63.6 |
| 9 (CH) | 55.5 |
| 10 (C) | 49.5 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 33.5 |
| 13 (C) | 36.6 |
| 14 (CH) | 45.5 |
| 15 (CH2) | 33.8 |
| 16 (C) | 171.6 |
| 17 (CH) | 79.3 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 16.4 |
| 20 (C) | 120.4 |
| 21 (CH) | 141.1 |
| 22 (CH) | 110.4 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 22.3 |
| 29 (CH3) | 21.1 |
| 30 (CH) | 67.5 |
| 3a (C) | 166.7 |
| 3b (C) | 126.7 |
| 3c (CH) | 141.4 |
| 3d (CH3) | 16.4 |
| 3ba (CH3) | 21.2 |
| 7a (CH3) | 52.7 |
