Tiliroside

enlarge

Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

ID: Reference7763

Other Names: Kaempferol-3-O-β-D-[6''-(E)-p-coumaroyl]-glucopyranoside ;
Kaempferol-3-O-(6-O-trans-p-coumaroyl)-β-glucopyranoside;
(E)-((2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy]-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate ;
(E)-3-(4-Hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxy-2-oxanyl]methyl ester ;
{(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl}methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate ; more

Formula: C30H26O13

Spectral Data

Tiliroside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/13/2018 7:03:35 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1
InChI Key DVGGLGXQSFURLP-VWMSDXGPSA-N
Canonical SMILES C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O
CAS
Splash
Other Names Kaempferol-3-O-β-D-[6''-(E)-p-coumaroyl]-glucopyranoside ;
Kaempferol-3-O-(6-O-trans-p-coumaroyl)-β-glucopyranoside;
(E)-((2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yloxy]-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate ;
(E)-3-(4-Hydroxyphenyl)-2-propenoic acid [(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy}-3,4,5-trihydroxy-2-oxanyl]methyl ester ;
{(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl}methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate ;
{(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl}methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate ;
2-Propenoic acid, 3-(4-hydroxyphenyl), 6'-ester with 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-({6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl}oxy)- ;
4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenyl)-3-({6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-b-D-glucopyranosyl}oxy)- ;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4E-1-benzopyran-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside

In Other Databases

ChEMBL CHEMBL266564
PubChem 5320686
ChemIDPlus 020316625
ChemSpider 4478707
KEGG C17140
ChEBI CHEBI:80944