Spektraris NMR
Erythrocarpine E
Common Name: Erythrocarpine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O10/c1-32-20-44-36(41)25(31(32)45-27(37)11-10-21-8-6-5-7-9-21)16-24-23(34(36,3)26(32)17-28(38)42-4)12-14-33(2)30(22-13-15-43-19-22)46-29(39)18-35(24,33)40/h5-11,13,15-16,19,23,25-26,30-31,40-41H,12,14,17-18,20H2,1-4H3/b11-10+/t23-,25-,26-,30-,31+,32+,33-,34+,35+,36+/m0/s1
InChIKey: InChIKey=JKHVALJIGRIJJO-PUQCIWEUSA-N
Formula: C36H40O10
Molecular Weight: 632.698172
Exact Mass: 632.262148
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) | 97.3 |
| 2 (CH) | 44.8 |
| 3 (CH) | 74.9 |
| 4 (C) | 36.2 |
| 5 (CH) | 34.9 |
| 6 (CH2) | 31.7 |
| 7 (C) | 174 |
| 8 (C) | 140.5 |
| 9 (CH) | 43.6 |
| 10 (C) | 41.4 |
| 11 (CH2) | 19 |
| 12 (CH2) | 28.2 |
| 13 (C) | 41.2 |
| 14 (C) | 78.9 |
| 15 (CH2) | 39.4 |
| 16 (C) | 168.8 |
| 17 (CH) | 76.9 |
| 18 (CH3) | 14.8 |
| 19 (CH3) | 14.7 |
| 20 (C) | 120.3 |
| 21 (CH) | 146.2 |
| 22 (CH) | 109.8 |
| 23 (CH) | 142.6 |
| 28 (CH3) | 15.5 |
| 29 (CH2) | 67.9 |
| 30 (CH) | 122.1 |
| 1' (C) | 166.4 |
| 2' (CH) | 117 |
| 3' (CH) | 146.2 |
| 4' (C) | 134.4 |
| 5' (CH) | 128.3 |
| 6' (CH) | 128.5 |
| 7' (CH) | 129.9 |
| 8' (CH) | 128.5 |
| 9' (CH) | 128.3 |
| 7a (CH3) | 52.1 |
