Spektraris NMR
Threo-carolignan H
Common Name: Threo-carolignan H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O10/c1-36-25-15-20(6-10-22(25)32)8-13-29(34)39-14-4-5-19-7-12-24(27(16-19)38-3)40-28(18-31)30(35)21-9-11-23(33)26(17-21)37-2/h4-13,15-17,28,30-33,35H,14,18H2,1-3H3/b5-4+,13-8+/t28-,30+/m0/s1
InChIKey: InChIKey=OTIOTHNONIPNLD-UNRSRLDCSA-N
Formula: C30H32O10
Molecular Weight: 552.57023
Exact Mass: 552.199547
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) | 74 |
| 2 (CH) | 89.7 |
| 3 (CH2) | 61 |
| α (CH) | 115.3 |
| β (CH) | 144.9 |
| 1' (C) | 131.4 |
| 2' (CH) | 109.3 |
| 3' (C) | 146.8 |
| 4' (C) | 145.5 |
| 5' (CH) | 114.3 |
| 6' (CH) | 120.3 |
| 1'' (C) | 145.7 |
| 2'' (C) | 151.1 |
| 3'' (CH) | 112.3 |
| 4'' (C) | 137.6 |
| 5'' (CH) | 121.3 |
| 6'' (CH) | 121.1 |
| 1''' (CH) | 32 |
| 2''' (CH) | 30.4 |
| 3''' (CH2) | 63.6 |
| 1'''' (C) | 126.9 |
| 2'''' (CH) | 109.3 |
| 3'''' (C) | 146.6 |
| 4'''' (C) | 148 |
| 5'''' (CH) | 114.7 |
| 6'''' (CH) | 123.1 |
| 3'a (CH3) | 55.9 |
| 2''a (CH3) | 56 |
| 3'''a (C) | 167.3 |
| 3''''a (CH3) | 56 |
