Spektraris NMR
12-Amino-7,8-dihydrocalanolide B
Common Name: 12-Amino-7,8-dihydrocalanolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H29NO4/c1-6-7-13-10-15(24)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(23)11(2)12(3)25-19/h10-12,18H,6-9,23H2,1-5H3/t11-,12-,18-/m0/s1
InChIKey: InChIKey=TXGOMXPLDAJWBS-PZROIBLQSA-N
Formula: C22H29N1O4
Molecular Weight: 371.470834
Exact Mass: 371.209658
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Galinis, D.L., Fuller, R.W., McKee, T.C., Cardellina, J.H., 2nd, Gulakowski, R.J., McMahon, J.B., Boyd, M.R. J Med Chem (1996) 39, 4507-10
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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 (C) | 160.6 |
| 3 (CH) | 110.5 |
| 4 (C) | 158.8 |
| 5 (C) | 152.8 |
| 6 (C) | 100.8 |
| 7 (C) | 155.3 |
| 8 (C) | 104.9 |
| 9 (C) | 152.6 |
| 10 (C) | 103.3 |
| 1' (CH2) | 39 |
| 2' (CH2) | 23.3 |
| 3' (CH3) | 13.9 |
| 6a (CH2) | 16.9 |
| 6b (CH2) | 31.4 |
| 6c (C) | 75.9 |
| 6d (CH3) | 26.7 |
| 6e (CH3) | 26.7 |
| 8a (CH) | 55.5 |
| 8b (CH) | 37.2 |
| 8c (CH) | 73.3 |
| 8d (CH3) | 13.5 |
| 8e (CH3) | 18.9 |
