Apiin
CAS Registry Number®
26544-34-3
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CAS Name
ApiinMolecular Formula
C26H28O14Molecular Mass
564.49Cite this Page
Apiin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26544-34-3 (retrieved ) (CAS RN: 26544-34-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
232-233 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKey
InChIKey=NTDLXWMIWOECHG-YRCFQSNFSA-N
SMILES
O=C1C=2C(OC(=C1)C3=CC=C(O)C=C3)=CC(O[C@H]4[C@H](O[C@H]5[C@H](O)[C@](CO)(O)CO5)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC2O
Canonical SMILES
O=C1C=C(OC2=CC(OC3OC(CO)C(O)C(O)C3OC4OCC(O)(CO)C4O)=CC(O)=C12)C=5C=CC(O)=CC5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-
- Apiin
- 7-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
- Apigenin 7-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside
Deleted or Replaced CAS Registry Numbers
1329-41-5, 25429-01-0, 28709-95-7, 36839-81-3
