Spektraris NMR
Aceropterine
Common Name: Aceropterine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H29NO7/c1-10(2)12-8-14-13(21(26)28-7)9-15(29-14)16(11(3)4)17(25)19(24(5)6)23-20(31-23)18(12)30-22(23)27/h9,12,16-20,25H,1,3,8H2,2,4-7H3/t12-,16+,17+,18-,19+,20+,23+/m1/s1
InChIKey: InChIKey=UZZSPEOUXVSBLN-XMPJFJDISA-N
Formula: C23H29N1O7
Molecular Weight: 431.479785
Exact Mass: 431.194402
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Soto, J.J. Tetrahedron Lett (1996) 37, 2687-90
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) | 46.5 |
| 2 (CH2) | 27.7 |
| 3 (C) | 156.9 |
| 4 (C) | 115.6 |
| 5 (CH) | 110.3 |
| 6 (C) | 150.4 |
| 7 (CH) | 48.6 |
| 8 (CH) | 69.5 |
| 9 (CH) | 69.3 |
| 10 (C) | 62 |
| 11 (CH) | 59.6 |
| 12 (CH) | 84.1 |
| 13 (C) | 139.6 |
| 14 (CH2) | 114 |
| 15 (CH3) | 21.9 |
| 16 (C) | 163.6 |
| 17 (C) | 143.6 |
| 18 (CH2) | 115.8 |
| 19 (CH3) | 23.6 |
| 20 (C) | 174.4 |
| 9a (CH3) | 40.6 |
| 9b (CH3) | 40.6 |
| 16a (CH3) | 51.4 |
