Spektraris NMR
Aristoloterpenate-I
Common Name: Aristoloterpenate-I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14-/t22-/m1/s1
InChIKey: InChIKey=CNCKKGCRDGSHDH-PTDIUHGLSA-N
Formula: C32H31N1O8
Molecular Weight: 557.591695
Exact Mass: 557.204967
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Chan, Y.Y., Leu, Y.L., Chen, Z.T. J Nat Prod (1999) 62, 415-8
Species:
Notes: Family : Alkaloids, Type : Aporphines; 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) | 123.2 |
| 2 (CH) | 112.7 |
| 3 (C) | 145.8 |
| 4 (C) | 146.6 |
| 4a (C) | 118.3 |
| 4b (C) | 130.8 |
| 5 (CH) | 118.9 |
| 6 (CH) | 130.9 |
| 7 (CH) | 107.8 |
| 8 (C) | 156.7 |
| 8a (C) | 119.9 |
| 9 (CH) | 121.2 |
| 10 (C) | 145.5 |
| 10a (C) | 118.1 |
| 11 (C) | 166 |
| 1' (CH) | 191.2 |
| 2' (C) | 141.7 |
| 3' (CH) | 144.4 |
| 4' (CH) | 67.6 |
| 5' (CH2) | 44.9 |
| 6' (C) | 128.5 |
| 7' (CH) | 130.6 |
| 8' (CH2) | 25 |
| 9' (CH2) | 39.6 |
| 10' (C) | 134.9 |
| 11' (CH) | 125.2 |
| 12' (CH2) | 25.9 |
| 13' (CH2) | 31.7 |
| 14' (CH3) | 15.9 |
| 15' (CH3) | 14.9 |
| 3a (CH2) | 102.4 |
| 8b (CH3) | 55.9 |
