Common Name: (S)-4-(4-Hydroxyphenyl)-2-butanol 2-O-[6-O-(3,5-dimethoxy-4-O-A- l-rhamnopyranosylgalloyl)-B- D-glucopyranoside]
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O15/c1-14(5-6-16-7-9-18(32)10-8-16)43-30-27(38)25(36)23(34)21(45-30)13-42-29(39)17-11-19(40-3)28(20(12-17)41-4)46-31-26(37)24(35)22(33)15(2)44-31/h7-12,14-15,21-27,30-38H,5-6,13H2,1-4H3/t14-,15-,21+,22-,23+,24+,25-,26-,27+,30+,31-/m0/s1
InChIKey: InChIKey=CIHMYYKGIXISGM-VFRKOPNBSA-N
Formula: C31H42O15
Molecular Weight: 654.657398
Exact Mass: 654.252371
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shikishima Y., Takaishi Y., Honda G., Ito M., Takeda Y., Kodzhimatov O.K., Ashurmetov O. Phytochemistry (2001) 56, 377-81
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylbutanoids; 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)
Position | PPM |
---|---|
1 (CH3) | 22.3 |
2 (CH) | 77.6 |
3 (CH2) | 40.2 |
4 (CH2) | 31.6 |
5 (C) | 134.4 |
6 (CH) | 130.3 |
7 (CH) | 116.1 |
8 (C) | 156.2 |
9 (CH) | 116.1 |
10 (CH) | 130.3 |
1' (CH) | 104.3 |
2' (CH) | 75.1 |
3' (CH) | 78 |
4' (CH) | 72.1 |
5' (CH) | 75.3 |
6' (CH2) | 65.6 |
1'' (CH) | 103.4 |
2'' (CH) | 72.2 |
3'' (CH) | 72 |
4'' (CH) | 73.6 |
5'' (CH) | 71.3 |
6'' (CH3) | 17 |
6'a (C) | 167.3 |
6'b (C) | 127.1 |
6'c (CH) | 107.8 |
6'd (C) | 154.5 |
6'e (C) | 140 |
6'f (C) | 154.5 |
6'g (CH) | 107.8 |
6'h (CH3) | 56.6 |
6'i (CH3) | 56.6 |