AG0010O9

13241-33-3 | 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-

AG0010O9

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CAS Number	13241-33-3
Catalog Number	AG0010O9(AGN-PC-01LRLS)
Chemical Name	4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
EC Number	236-216-9
IUPAC Name	(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one
InChI	InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key	ARGKVCXINMKCAZ-UZRWAPQLSA-N
MDL Number	MFCD16661259
Molecular Formula	C28H34O15
Molecular Weight	610.5606
SMILES	O=C1c2c(O[C@@H](C1)c1cc(O)c(cc1)OC)cc(cc2O)O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@H]([C@@H](O2)C)O)[C@@H](O)[C@@H]([C@H](O1)CO)O
UNII	OA5C88H3L0
Synonyms	neohesperidin, Neohesperidin, 13241-33-3, UNII-OA5C88H3L0, OA5C88H3L0, CHEBI:59016, NSC 31048, (S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Hesperetin 7-O-neohesperidoside, (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside, Hesperetin-7-O-neohesperidoside, EINECS 236-216-9, BRN 0074945, Neohesperidin (8CI), AC1L9CTW, Neohesperidin, >=90%, Hesperetin-7-neohesperidoside, SCHEMBL121675, CHEMBL506398, ARGKVCXINMKCAZ-UZRWAPQLSA-N, Neohesperidin, analytical standard, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-, HY-N0101, ZINC8234302, AKOS015899387, CS-6413, MCULE-4044377173, SMP1_000209, O909, C09806, 5-18-05-00219 (Beilstein Handbook Reference), C-23343, Neohesperidin, United States Pharmacopeia (USP) Reference Standard, (s)-a-d-glucopyranosyl)oxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl), (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one, (S)-4 inverted exclamation marka-Methoxy-3 inverted exclamation marka,5,7-trihydroxyflavanone-7-[2-O-(|A-L-rhamnopyranosyl)-|A-D-glucopyranoside], (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-2-(3-hydroxy-4, 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)- (9CI), 4H-1-Benzopyran-4-one,7-[[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-,(2S)-, Neohesperdin, -methoxyphenyl)chroman-4-one, C28H34O15, CID442439, ACN-035678, Neohesperidin, 98%, from Poncirus trifoliata (L.) Raf. - 25MG 25mg,

Complexity	940
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Defined Bond Stereocenter Count	0
Exact Mass	610.19g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	8
Isotope Atom Count	0
Molecular Weight	610.565g/mol
Monoisotopic Mass	610.19g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	234A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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

Lot Number