AG00AB8R

17650-84-9 | Kaempferol-3-O-rutinoside

AG00AB8R

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CAS Number	17650-84-9
Catalog Number	AG00AB8R(AGN-PC-0QAY95)
Chemical Name	Kaempferol-3-O-rutinoside
IUPAC Name	5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(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]oxychromen-4-one
InChI	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChI Key	RTATXGUCZHCSNG-QHWHWDPRSA-N
MDL Number	MFCD03427292
Molecular Formula	C27H30O15
Molecular Weight	594.5181
SMILES	O=C1C(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]3[C@@H]([C@@H]([C@H]([C@H](C)O3)O)O)O)O2)O)O)O)=C(C4=CC=C(O)C=C4)OC5=CC(O)=CC(O)=C15
UNII	4056D20K3H
Synonyms	kaempferol-3-O-rutinoside, kaempferol-3-O-alpha-L-rhamanopyranosyl-(1'''-6'')-beta-D-glucopyranoside, kaempferol-3-O-rhamanopyranosyl-(1'''-6'')-glucopyranoside, nicotiflorin, Nicotiflorin, Kaempferol-3-O-rutinoside, 17650-84-9, Nictoflorin, NICOTIFLOROSIDE, Kaempferol-3-O-beta-rutinoside, UNII-4056D20K3H, Kaempferol 3-Rutinoside, Kaempferol 3-O-rutinoside, Kaempferol-3-rutinoside, CHEBI:69657, MFCD03427292, 4056D20K3H, kaempferol 3-O-(6''-O-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside, 3-rutinosylkaempferol, Kaempferol 3-O-rutinose, AC1NSXA1, MLS000563045, SCHEMBL240355, CHEMBL498879, Kaempferol 3-O-beta-rutinoside, MEGxp0_000024, Kaempferol 3-O-|A -rutinoside, ACon1_002178, RTATXGUCZHCSNG-QHWHWDPRSA-N, HMS2268M08, HY-N1475, ZINC4349478, BDBM50378581, AKOS032962209, MCULE-3239674829, 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, AS-35049, SMR001215820, CS-0016975, FT-0697835, W1678, C21833, 3,4',5,7-Tetrahydroxyflavone 3-rhamnoglucoside, Flavone, 3,4',5,7-tetrahydroxy-, 3-rhamnoglucoside, Kaempferol 3-O-beta -rutinoside, >=98.0% (HPLC), 3,4 inverted exclamation marka,5,7-Tetrahydroxyflavone 3-rhamnoglucoside, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(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]oxychromen-4-one, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, Nicotiflorine, C27H30O15, ACN-047244, CID5318767, C27-H30-O15, Kaempferol-3-O-rutinosid, 98%, from Carthamus tinctorius L. - 10MG 10mg,

Complexity	985
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	594.158g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	15
Hydrogen Bond Donor Count	9
Isotope Atom Count	0
Molecular Weight	594.522g/mol
Monoisotopic Mass	594.158g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	245A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number