(S)-4-(4-Hydroxyphenyl)-2-butanol 2-O-[6-O-(3,5-dimethoxy-4-O-A- l-rhamnopyranosylgalloyl)-B- D-glucopyranoside]

(S)-4-(4-Hydroxyphenyl)-2-butanol 2-O-[6-O-(3,5-dimethoxy-4-O-A- l-rhamnopyranosylgalloyl)-B- D-glucopyranoside]

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)

Carbon NMR Peaks

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