Spektraris NMR
Trachelogenin amide
Common Name: Trachelogenin amide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H27NO7/c1-27-17-7-5-13(9-19(17)29-3)8-15(12-23)21(26,20(22)25)11-14-4-6-16(24)18(10-14)28-2/h4-7,9-10,15,23-24,26H,8,11-12H2,1-3H3,(H2,22,25)/t15-,21-/m0/s1
InChIKey: InChIKey=QHRABXYWCDWVQB-BTYIYWSLSA-N
Formula: C21H27N1O7
Molecular Weight: 405.442432
Exact Mass: 405.178752
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Tan, X.Q., Chen, H.S., Liu, R.H., Tan, C.H., Xu, C.L., Xuan, W.D., Zhang, W.D. Planta Med (2005) 71, 93-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 134 |
| 2 (CH) | 114.7 |
| 3 (C) | 148.6 |
| 4 (C) | 146.9 |
| 5 (CH) | 111.8 |
| 6 (CH) | 120.9 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 49.8 |
| 9 (CH2) | 59.5 |
| 1' (C) | 127.8 |
| 2' (CH) | 112.9 |
| 3' (C) | 146.6 |
| 4' (C) | 144.8 |
| 5' (CH) | 114.6 |
| 6' (CH) | 122.8 |
| 7' (CH2) | 42.6 |
| 8' (C) | 80.5 |
| 9' (C) | 177.1 |
| 3a (CH3) | 55.5 |
| 4a (CH3) | 55.4 |
| 3'a (CH3) | 55.4 |
