Spektraris NMR
Erythrocarpine C
Common Name: Erythrocarpine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O9/c1-33(2)26(18-28(38)42-5)35(4)24-13-15-34(3)31(22-14-16-43-20-22)45-29(39)19-36(34,41)25(24)17-23(30(35)40)32(33)44-27(37)12-11-21-9-7-6-8-10-21/h6-12,14,16-17,20,23-24,26,31-32,41H,13,15,18-19H2,1-5H3/b12-11+/t23-,24+,26+,31+,32-,34+,35-,36-/m1/s1
InChIKey: InChIKey=CBKAQQJUMSGHNF-PDBDTYPQSA-N
Formula: C36H40O9
Molecular Weight: 616.698767
Exact Mass: 616.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Awang, K., Lim, C.S., Mohamad, K., Morita, H., Hirasawa, Y., Takeya, K., Thoison, O., Hadi, A.H.A. Bioorg Med Chem (2007) 15, 5997-6002
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) | 216.7 |
| 2 (CH) | 48.7 |
| 3 (CH) | 77 |
| 4 (C) | 39.1 |
| 5 (CH) | 41.6 |
| 6 (CH2) | 33 |
| 7 (C) | 174.1 |
| 8 (C) | 140.8 |
| 9 (CH) | 52.3 |
| 10 (C) | 50.1 |
| 11 (CH2) | 20 |
| 12 (CH2) | 28.4 |
| 13 (C) | 41.2 |
| 14 (C) | 73.2 |
| 15 (CH2) | 38.6 |
| 16 (C) | 168 |
| 17 (CH) | 77.2 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 15.9 |
| 20 (C) | 120.3 |
| 21 (CH) | 142.1 |
| 22 (CH) | 110.1 |
| 23 (CH) | 142.8 |
| 28 (CH3) | 22.4 |
| 29 (CH3) | 20.3 |
| 30 (CH) | 124.9 |
| 1' (C) | 166.3 |
| 2' (CH) | 116.9 |
| 3' (CH) | 146.5 |
| 4' (C) | 130.2 |
| 5' (CH) | 128.7 |
| 6' (CH) | 128.6 |
| 7' (CH) | 134.4 |
| 8' (CH) | 128.6 |
| 9' (CH) | 128.7 |
| 7a (CH3) | 52.8 |
