Spektraris NMR
Calophymembranside A
Common Name: Calophymembranside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O7/c19-8-13-15(22)16(23)17(24)18(25-13)14-11(20)6-10(7-12(14)21)9-4-2-1-3-5-9/h1-4,6-7,9,13,15-24H,5,8H2/t9?,13-,15-,16+,17-,18+/m1/s1
InChIKey: InChIKey=HCTHMBLOBDGPKA-HHICCYPCSA-N
Formula: C18H22O7
Molecular Weight: 350.363777
Exact Mass: 350.136553
NMR Solvent: CD3COCD3
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 : Biphenyls; 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) | 142.4 |
| 2 (CH) | 107 |
| 3 (C) | 157.4 |
| 4 (C) | 111.4 |
| 5 (C) | 157.4 |
| 6 (CH) | 107 |
| 1' (CH) | 141.1 |
| 2' (CH) | 127.1 |
| 3' (CH) | 129.2 |
| 4' (CH) | 127.8 |
| 5' (CH) | 129.2 |
| 6' (CH2) | 127.1 |
| 1'' (CH) | 76.3 |
| 2'' (CH) | 74 |
| 3'' (CH) | 78.9 |
| 4'' (CH) | 70 |
| 5'' (CH) | 81.5 |
| 6'' (CH2) | 61.1 |
