Spektraris NMR
Erythrocarpine D
Common Name: Erythrocarpine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H38O9/c1-33-14-12-24-23(25(33)17-30(39)45-31(33)22-13-15-42-19-22)16-26-32(44-28(37)11-10-21-8-6-5-7-9-21)34(2)20-43-36(26,40)35(24,3)27(34)18-29(38)41-4/h5-11,13,15-17,19,24,26-27,31-32,40H,12,14,18,20H2,1-4H3/b11-10+/t24-,26-,27-,31-,32+,33+,34+,35+,36+/m0/s1
InChIKey: InChIKey=PSHQGEKQKVCTAS-ZGZYVAPFSA-N
Formula: C36H38O9
Molecular Weight: 614.682885
Exact Mass: 614.251583
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) | 96.4 |
| 2 (CH) | 45.4 |
| 3 (CH) | 76.1 |
| 4 (C) | 36.3 |
| 5 (CH) | 33.7 |
| 6 (CH2) | 31.9 |
| 7 (C) | 173.7 |
| 8 (C) | 135.3 |
| 9 (CH) | 44.4 |
| 10 (C) | 42 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 32.4 |
| 13 (C) | 37.4 |
| 14 (C) | 161.9 |
| 15 (CH) | 110.8 |
| 16 (C) | 165.2 |
| 17 (CH) | 79.8 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 14.4 |
| 20 (C) | 120.3 |
| 21 (CH) | 141.3 |
| 22 (CH) | 110.2 |
| 23 (CH) | 143 |
| 28 (CH3) | 14.7 |
| 29 (CH2) | 68.1 |
| 30 (CH) | 127 |
| 1' (C) | 166.5 |
| 2' (CH) | 116.7 |
| 3' (CH) | 146.7 |
| 4' (C) | 134 |
| 5' (CH) | 128.4 |
| 6' (CH) | 128.9 |
| 7' (CH) | 130.7 |
| 8' (CH) | 128.9 |
| 9' (CH) | 128.4 |
| 7a (CH3) | 52.1 |
