Marein
CAS Registry Number®
535-96-6
No image available.
CAS Name
MareinMolecular Formula
C21H22O11Molecular Mass
450.39Cite this Page
Marein. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=535-96-6 (retrieved ) (CAS RN: 535-96-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
130-132 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1
InChIKey
InChIKey=XGEYXJDOVMEJNG-HTFDPZBKSA-N
SMILES
O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=C(O)C(O)=C(C(/C=C/C3=CC(O)=C(O)C=C3)=O)C=C2
Canonical SMILES
O=C(C=CC1=CC=C(O)C(O)=C1)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C2O
Other Names for this Substance
- 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-, (2E)-
- 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-, (E)-
- Marein
- Chalcone, 2′,3,3′,4,4′-pentahydroxy-, 4′-β-D-glucopyranoside
- (2E)-3-(3,4-Dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-2-propen-1-one
