AG00IKM0

14259-46-2 | 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-

AG00IKM0

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CAS Number	14259-46-2
Catalog Number	AG00IKM0(AGN-PC-0PSMJB)
Chemical Name	4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-
EC Number	238-138-0
FEMA Number	2769
IUPAC Name	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
InChI	InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
InChI Key	HXTFHSYLYXVTHC-AJHDJQPGSA-N
MDL Number	MFCD00017316
Molecular Formula	C27H32O14
Molecular Weight	580.5346
SMILES	O=C1c2c(O[C@@H](C1)c1ccc(cc1)O)cc(cc2O)O[C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@H](O)[C@H]([C@@H](O2)C)O)[C@H]([C@@H]([C@H]1O)O)O
UNII	06M5EAT0YC
Synonyms	narirutin, Narirutin, 14259-46-2, Isonaringenin, Isonaringin, Naringenin 7-O-rutinoside, UNII-06M5EAT0YC, 06M5EAT0YC, CHEBI:28705, Naringenin-7-O-rutinoside, (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, Q-100159, MFCD00017316, Naringenin 7-beta-rutinoside, FEMA No. 2769, (2S)-Narirutin, EINECS 238-138-0, NARINGEN, Naringin extract (Citrus paradisi Macf.), AC1L9CT8, SCHEMBL669946, CHEMBL446246, Narirutin, >=98% (HPLC), KS-00000KC1, ZINC8234300, AKOS030530132, CC-32464, SC-82702, FT-0630414, N1696, X1191, C09793, 259N462, C-23278, Flavanone, 4',5,7-trihydroxy-, 7-beta-rutinoside, (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, (S)-5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one, (S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoxyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-, 4H-1-benzopyran-4-one, 7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-, 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-, 4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-,(2S)-, Naringenin 7-rutinoside, C27H32O14, CID442431, ACN-046950, CS-O-30689, C27-H32-O14, Narirutin, 98%, from Citrus maxima (Burm.) Merr. - 20MG 20mg, (S)-7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-, 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (2S)-, 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-,

Complexity	884
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Defined Bond Stereocenter Count	0
Exact Mass	580.179g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	580.539g/mol
Monoisotopic Mass	580.179g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	225A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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