Spektraris NMR
Asterrelenin
Common Name: Asterrelenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H25N3O4/c1-5-23(3,4)24-14-25(32)21(31)26-18-12-8-6-10-16(18)20(30)28(25)22(24)27(15(2)29)19-13-9-7-11-17(19)24/h5-13,22,32H,1,14H2,2-4H3,(H,26,31)/t22?,24-,25+/m1/s1
InChIKey: InChIKey=VQSXFZXCXRKORH-GOGAEGRDSA-N
Formula: C25H25N3O4
Molecular Weight: 431.484765
Exact Mass: 431.184506
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, G.Y., Li, B.G., Yang, T., Yin, J.H., Qi, H.Y., Liu, G.Y., Zhang, G.L. J Nat Prod (2005) 68, 1243-6
Species:
Notes: Family : Alkaloids, Type : Indoloquinolizidines; 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 |
|---|---|
| 2 (CH) | 81.6 |
| 3 (C) | 57.6 |
| 4 (C) | 133.1 |
| 5 (CH) | 130.6 |
| 6 (CH) | 123.7 |
| 7 (CH) | 133.1 |
| 8 (CH) | 118.5 |
| 9 (C) | 137.3 |
| 10 (CH2) | 40.5 |
| 11 (C) | 88.3 |
| 12 (C) | 168.7 |
| 14 (C) | 142 |
| 15 (C) | 124.9 |
| 16 (C) | 166.4 |
| 18 (CH) | 120.3 |
| 19 (CH) | 128.3 |
| 20 (CH) | 123.3 |
| 21 (CH) | 127.5 |
| 22 (C) | 40.5 |
| 23 (CH) | 144.1 |
| 24 (CH2) | 114.3 |
| 25 (CH3) | 22.7 |
| 26 (CH3) | 23.2 |
| 27 (C) | 170 |
| 28 (CH3) | 23.8 |
