Spektraris NMR
Taxodiifoloside
Common Name: Taxodiifoloside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40O17/c1-15(37)46-12-24-28(38)29(39)30(40)35(51-24)53-33-32(45-5)25(44-4)13-48-36(33)52-31-18-10-22(43-3)21(42-2)9-17(18)26(27-19(31)11-47-34(27)41)16-6-7-20-23(8-16)50-14-49-20/h6-10,24-25,28-30,32-33,35-36,38-40H,11-14H2,1-5H3/t24-,25-,28-,29+,30-,32+,33-,35+,36+/m1/s1
InChIKey: InChIKey=GCEGHLRRCGSNLJ-FWPYAJAMSA-N
Formula: C36H40O17
Molecular Weight: 744.694006
Exact Mass: 744.22655
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tuchinda, P., Kumkao, A., Pohmakotr, M., Sophasan, S., Santisuk, T., Reutrakul, V. Planta Med (2006) 72, 60-2
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 126.86 |
| 2 (C) | 130.76 |
| 3 (CH) | 106.21 |
| 4 (C) | 150.29 |
| 5 (C) | 151.95 |
| 6 (CH) | 101.52 |
| 7 (C) | 143.72 |
| 8 (C) | 130.81 |
| 9 (CH2) | 67.28 |
| 1' (C) | 128.32 |
| 2' (CH) | 110.71 |
| 3' (C) | 147.53 |
| 4' (C) | 147.53 |
| 5' (CH) | 108.19 |
| 6' (CH) | 123.61 |
| 7' (C) | 136.42 |
| 8' (C) | 119.13 |
| 9' (C) | 169.74 |
| 1'' (CH) | 103.27 |
| 2'' (CH) | 80.99 |
| 3'' (CH) | 83.08 |
| 4'' (CH) | 79.56 |
| 5'' (CH2) | 62.54 |
| 1''' (CH) | 105.91 |
| 2''' (CH) | 75.32 |
| 3''' (CH) | 75.74 |
| 4''' (CH) | 69.61 |
| 5''' (CH) | 74.76 |
| 6''' (CH2) | 63.06 |
| 4a (CH3) | 56.53 |
| 5a (CH3) | 55.81 |
| 3'a (CH2) | 101.22 |
| 3''a (CH3) | 60.78 |
| 4''a (CH3) | 58.23 |
| 6'''a (C) | 171.54 |
| 6'''b (CH3) | 20.2 |
