CAS 26544-34-3 | 4H-1-Benzopyran-4-one, 7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- | CAS Number 26544-34-3

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26544-34-3 | 4H-1-Benzopyran-4-one, 7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-

CAS No: 26544-34-3 Catalog No: AG002TN5 MDL No:MFCD00016941

Product Description

Catalog Number:

AG002TN5

Chemical Name:

4H-1-Benzopyran-4-one, 7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-

CAS Number:

26544-34-3

Molecular Formula:

C26H28O14

Molecular Weight:

564.4921

MDL Number:

MFCD00016941

IUPAC Name:

7-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

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

InChI Key:

NTDLXWMIWOECHG-MFMSCHSJSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1OC[C@]([C@H]1O)(O)CO

EC Number:

247-780-0

Properties

Complexity:

923

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

564.148g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

564.496g/mol

Monoisotopic Mass:

564.148g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

225A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Biological synthesis of silver and gold nanoparticles using apiin as reducing agent.	Colloids and surfaces. B, Biointerfaces 20090101
Evaluation of analytical markers characterising different drying methods of parsley leaves (Petroselinum crispum L.).	Die Pharmazie 20071201
An extract of Apium graveolens var. dulce leaves: structure of the major constituent, apiin, and its anti-inflammatory properties.	The Journal of pharmacy and pharmacology 20070601
[Studies on the chemical constituents of the aerial parts of Seseli mairei].	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20070101
Bioavailability of apigenin from apiin-rich parsley in humans.	Annals of nutrition & metabolism 20060101