Spektraris NMR
Erythro-carolignan F
Common Name: Erythro-carolignan F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H42O14/c1-48-32-19-25(8-13-29(32)42)10-16-38(45)53-18-6-7-27-21-35(51-4)41(36(22-27)52-5)55-37(40(47)28-12-15-31(44)34(23-28)50-3)24-54-39(46)17-11-26-9-14-30(43)33(20-26)49-2/h6-17,19-23,37,40,42-44,47H,18,24H2,1-5H3/b7-6+,16-10+,17-11+/t37-,40-/m0/s1
InChIKey: InChIKey=YBUJPYLIQOJSCL-PUDCRTJBSA-N
Formula: C41H42O14
Molecular Weight: 758.765352
Exact Mass: 758.257456
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seca A.M., Silva A.M., Silvestre A.J., Cavaleiro J.A., Domingues F.M., Pascoal-Neto C. Phytochemistry (2001) 56, 759-67
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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 (CH) | 71.5 |
| 2 (CH) | 83.1 |
| 3 (CH2) | 62.5 |
| α (CH) | 115.5 |
| β (CH) | 144.7 |
| 1' (C) | 130.7 |
| 2' (CH) | 108.4 |
| 3' (C) | 146.7 |
| 4' (C) | 144.7 |
| 5' (CH) | 114 |
| 6' (CH) | 118.8 |
| α' (CH) | 115.2 |
| β' (CH) | 145 |
| 1'' (C) | 132.6 |
| 2'' (C) | 151.3 |
| 3'' (CH) | 105.3 |
| 4'' (C) | 137.9 |
| 5'' (CH) | 105.3 |
| 6'' (C) | 151.3 |
| 1''' (CH) | 32.7 |
| 2''' (CH) | 30.3 |
| 3''' (CH2) | 63.6 |
| 1'''' (C) | 126.8 |
| 2'''' (CH) | 109.3 |
| 3'''' (C) | 146.7 |
| 4'''' (C) | 148 |
| 5'''' (CH) | 114.7 |
| 6'''' (CH) | 123 |
| 1''''' (C) | 126.8 |
| 2''''' (CH) | 109.2 |
| 3''''' (C) | 146.6 |
| 4''''' (C) | 147.9 |
| 5''''' (CH) | 114.6 |
| 6''''' (CH) | 123 |
| 7''''' (CH3) | 55.9 |
| 3a (C) | 167.1 |
| 3'a (CH3) | 56.1 |
| 2''a (CH3) | 55.9 |
| 6''a (CH3) | 55.9 |
| 3'''a (C) | 167.3 |
| 3''''a (CH3) | 55.9 |
