Spektraris NMR
CHEMBL256537
Common Name: CHEMBL256537
Synonyms: CHEMBL256537
CAS Registry Number:
InChI: InChI=1S/C24H40O12/c1-12-7-14(8-22(3,4)24(12,32)6-5-13(2)26)35-20-18(29)17(28)16(27)15(36-20)9-33-21-19(30)23(31,10-25)11-34-21/h5-6,12,14-21,25,27-32H,7-11H2,1-4H3/b6-5+/t12-,14+,15-,16-,17+,18-,19+,20-,21-,23-,24-/m1/s1
InChIKey: InChIKey=CJUNXUOKDZNOLO-GZPNCSACSA-N
Formula: C24H40O12
Molecular Weight: 520.568151
Exact Mass: 520.251977
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Picerno, P., Mencherini, T., Rastrelli, L., Piccinelli, A., Aquino, R. J Nat Prod (2008) 71, 265-8
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 40.9 |
| 2 (CH2) | 42.5 |
| 3 (CH) | 75.7 |
| 4 (CH2) | 37.9 |
| 5 (CH) | 35.3 |
| 6 (C) | 79 |
| 7 (CH) | 154.5 |
| 8 (CH) | 131.4 |
| 9 (C) | 201.1 |
| 10 (CH3) | 27.4 |
| 11 (CH3) | 25.1 |
| 12 (CH3) | 25.9 |
| 13 (CH3) | 16.4 |
| 1' (CH) | 102.8 |
| 2' (CH) | 75 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78 |
| 6' (CH2) | 68.6 |
| 1'' (CH) | 110.9 |
| 2'' (CH) | 78 |
| 3'' (C) | 80.6 |
| 4'' (CH2) | 75.1 |
| 5'' (CH2) | 65.6 |
