Spektraris NMR
Erythrocarpine B
Common Name: Erythrocarpine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H38O9/c1-31(2)24(16-25(35)40-5)33(4)22-11-13-32(3)28(20-12-14-41-18-20)42-26(36)17-34(32,39)23(22)15-21(27(33)37)29(31)43-30(38)19-9-7-6-8-10-19/h6-10,12,14-15,18,21-22,24,28-29,39H,11,13,16-17H2,1-5H3/t21-,22+,24+,28+,29-,32+,33-,34-/m1/s1
InChIKey: InChIKey=BRNONYBNTVMPDI-YGQUGUSOSA-N
Formula: C34H38O9
Molecular Weight: 590.661413
Exact Mass: 590.251583
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) | 216.7 |
| 2 (CH) | 48.9 |
| 3 (CH) | 77 |
| 4 (C) | 38.8 |
| 5 (CH) | 41.3 |
| 6 (CH2) | 32.9 |
| 7 (C) | 174.1 |
| 8 (C) | 141.5 |
| 9 (CH) | 52.3 |
| 10 (C) | 50 |
| 11 (CH2) | 20.2 |
| 12 (CH2) | 28.6 |
| 13 (C) | 41.1 |
| 14 (C) | 73.3 |
| 15 (CH2) | 38.8 |
| 16 (C) | 167.6 |
| 17 (CH) | 77.3 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 15.9 |
| 20 (C) | 120.2 |
| 21 (CH) | 142.3 |
| 22 (CH) | 110 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 22.5 |
| 29 (CH3) | 20.3 |
| 30 (CH) | 124.4 |
| 1' (C) | 165.8 |
| 2' (C) | 128.8 |
| 3' (CH) | 129.7 |
| 4' (CH) | 128.8 |
| 5' (CH) | 133.5 |
| 6' (CH) | 128.8 |
| 7' (CH) | 129.7 |
| 7a (CH3) | 53 |
