Spektraris NMR
Erythrocarpine A
Common Name: Erythrocarpine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H36O8/c1-32(2)25(17-26(35)39-5)34(4)23-11-13-33(3)24(16-27(36)41-29(33)20-12-14-40-18-20)21(23)15-22(28(34)37)30(32)42-31(38)19-9-7-6-8-10-19/h6-10,12,14-16,18,22-23,25,29-30H,11,13,17H2,1-5H3/t22-,23+,25+,29+,30-,33-,34-/m1/s1
InChIKey: InChIKey=NSVUZOSOXVZOKZ-NXRWCSSTSA-N
Formula: C34H36O8
Molecular Weight: 572.646127
Exact Mass: 572.241018
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) | 214.5 |
| 2 (CH) | 49 |
| 3 (CH) | 78.6 |
| 4 (C) | 39 |
| 5 (CH) | 40.3 |
| 6 (CH2) | 32.8 |
| 7 (C) | 174.3 |
| 8 (C) | 136.2 |
| 9 (CH) | 54 |
| 10 (C) | 51.9 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 32.8 |
| 13 (C) | 37.4 |
| 14 (C) | 160.3 |
| 15 (CH) | 112.4 |
| 16 (C) | 164.6 |
| 17 (CH) | 79.5 |
| 18 (CH3) | 22.4 |
| 19 (CH3) | 15.6 |
| 20 (C) | 120.2 |
| 21 (CH) | 141.4 |
| 22 (CH) | 110.2 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 22.1 |
| 29 (CH3) | 21 |
| 30 (CH) | 128.8 |
| 1' (C) | 165.5 |
| 2' (C) | 129.6 |
| 3' (CH) | 128.9 |
| 4' (CH) | 128.9 |
| 5' (CH) | 133.9 |
| 6' (CH) | 128.9 |
| 7' (CH) | 129.6 |
| 7a (CH3) | 52 |
