Spektraris NMR
Heptamethyl ether of proanthocyanidin A-1
Common Name: Heptamethyl ether of proanthocyanidin A-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H38O12/c1-40-20-14-28(46-7)31-29(15-20)48-37(19-9-11-24(42-3)27(13-19)45-6)36(39)33(31)32-30(49-37)17-25(43-4)21-16-22(38)34(47-35(21)32)18-8-10-23(41-2)26(12-18)44-5/h8-15,17,22,33-34,36,38-39H,16H2,1-7H3/t22-,33+,34+,36+,37-/m0/s1
InChIKey: InChIKey=LLMOYBYCVKZDGW-OBZCZKEGSA-N
Formula: C37H38O12
Molecular Weight: 674.691836
Exact Mass: 674.236327
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lou, H.X., Yamazaki, Y., Sasaki, T., Uchida, M., Tanaka, H., Oka, S. Phytochemistry (1999) 51, 297-308
Species:
Notes: Family : Flavonoids, Type : Proanthocyanidins; 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 |
|---|---|
| 2 (C) | 99.2 |
| 3 (CH) | 67.56 |
| 4 (CH) | 25.94 |
| 5 (C) | 158.75 |
| 6 (CH) | 92.81 |
| 7 (C) | 160.05 |
| 8 (CH) | 93.2 |
| 9 (C) | 153.52 |
| 10 (C) | 103.73 |
| 1' (C) | 130.6 |
| 2' (CH) | 110.11 |
| 3' (C) | 149.75 |
| 4' (C) | 149.75 |
| 5' (CH) | 111.14 |
| 6' (CH) | 119.55 |
| 2'' (CH) | 81.22 |
| 3'' (CH) | 67.45 |
| 4'' (CH2) | 27.51 |
| 5'' (C) | 157.46 |
| 6'' (CH) | 91.96 |
| 7'' (C) | 151.23 |
| 8'' (C) | 106 |
| 9'' (C) | 151.23 |
| 10'' (C) | 101.81 |
| 1''' (C) | 130.6 |
| 2''' (CH) | 109.91 |
| 3''' (C) | 148.97 |
| 4''' (C) | 148.98 |
| 5''' (CH) | 110.81 |
| 6''' (CH) | 119.17 |
| 5a (CH3) | 56.05 |
| 7a (CH3) | 55.99 |
| 3'a (CH3) | 55.72 |
| 4'a (CH3) | 55.5 |
| 5''a (CH3) | 55.42 |
| 3'''a (CH3) | 55.2 |
| 4'''a (CH3) | 55.99 |
