Spektraris NMR
Calophymembranside B
Common Name: Calophymembranside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O12/c1-8-13(23)15(25)17(27)19(30-8)29-7-12-14(24)16(26)18(28)20(32-12)31-11-6-9(4-5-21)2-3-10(11)22/h2-3,6,8,12-28H,4-5,7H2,1H3/t8-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=YXWUKVNWHJHQJJ-RMLVDZFVSA-N
Formula: C20H30O12
Molecular Weight: 462.4458
Exact Mass: 462.173726
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zou, J., Jin, D., Chen, W., Wang, J., Liu, Q., Zhu, X., Zhao, W. J Nat Prod (2005) 68, 1514-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 132.3 |
| 2 (CH) | 119.7 |
| 3 (C) | 147.2 |
| 4 (C) | 147.1 |
| 5 (CH) | 117.5 |
| 6 (CH) | 125.6 |
| 7 (CH2) | 40.3 |
| 8 (CH2) | 65.1 |
| 1' (CH) | 104.8 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.1 |
| 4' (CH) | 72.2 |
| 5' (CH) | 77.6 |
| 6' (CH2) | 68.5 |
| 1'' (CH) | 102.6 |
| 2'' (CH) | 72.7 |
| 3'' (CH) | 72.9 |
| 4'' (CH) | 74.4 |
| 5'' (CH) | 70.4 |
| 6'' (CH3) | 18.5 |
