PhytoHub: Showing entry for 3’,5’-di-C-β-glucopyranosylphloretin

3’,5’-di-C-β-glucopyranosylphloretin

Identification

PhytoHub ID

PHUB002019

Name

3’,5’-di-C-β-glucopyranosylphloretin

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

598.554

Monoisotopic Mass

598.189770395

Chemical Formula

C₂₇H₃₄O₁₅

IUPAC Name

3-(4-hydroxyphenyl)-1-{2,4,6-trihydroxy-3-[(2R,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propan-1-one

InChI Key

WAWHTTXPRUWFCZ-MWNZOLAUSA-N

InChI Identifier

InChI=1S/C27H34O15/c28-7-12-17(32)22(37)24(39)26(41-12)15-19(34)14(11(31)6-3-9-1-4-10(30)5-2-9)20(35)16(21(15)36)27-25(40)23(38)18(33)13(8-29)42-27/h1-2,4-5,12-13,17-18,22-30,32-40H,3,6-8H2/t12?,13?,17-,18-,22?,23?,24-,25-,26-,27+/m1/s1

SMILES

OCC1O[[email protected]]([[email protected]](O)C(O)[[email protected]@H]1O)C1=C(O)C(C(=O)CCC2=CC=C(O)C=C2)=C(O)C([[email protected]]2OC(CO)[[email protected]@H](O)C(O)[[email protected]]2O)=C1O

Structure