AG00290U

20362-31-6 | 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-

AG00290U

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CAS Number	20362-31-6
Catalog Number	AG00290U(AGN-PC-0QTUZ2)
Chemical Name	2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-
IUPAC Name	(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
InChI	InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1
InChI Key	XOJVHLIYNSOZOO-SWOBOCGESA-N
MDL Number	MFCD00870630
Molecular Formula	C27H34O11
Molecular Weight	534.5523
SMILES	C(c1cc(OC)c(cc1)OC)[C@@H]1[C@@H](Cc2cc(OC)c(cc2)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C(=O)OC1
UNII	TM5RQ949K7
Synonyms	arctiin, Arctiin, 20362-31-6, Arctigenin-4-glucoside, NSC 315527, UNII-TM5RQ949K7, arctigenin 4'-O-D-glucoside, TM5RQ949K7, CHEBI:80793, MFCD00870630, arctiin(8ci), Arctium, Arctii, CCRIS 8412, Arctiin,(S), Arctiin (8CI), AC1L2OXG, AC1Q6MJK, Arctiin(NSC 315527), SCHEMBL381867, CHEMBL388452, MEGxp0_000527, ACon1_001261, CTK8F0933, EBD15003, s4738, ZINC28820378, AKOS015895721, Arctiin, >=95% (LC/MS-ELSD), AM84703, MCULE-8208548184, NCGC00169522-01, NCGC00169522-02, AS-18734, LS-69357, AB0028964, TR-009491, N1627, X1085, C16915, 362A316, Q-100251, BRD-K02568760-001-01-7, (3R,4R)-4-(3,4-dimethoxybenzyl)-3-(3-methoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)benzyl)dihydrofuran-2(3H)-one, (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one, (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]methyl]tetrahydrofuran-2-one, 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)-, 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI), 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-, 2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-,(3R,4R)-, NCGC00169522-02_C27H34O11_4-{[(3R,4R)-4-(3,4-Dimethoxybenzyl)-2-oxotetrahydro-3-furanyl]methyl}-2-methoxyphenyl beta-D-glucopyranoside, (-)-Arctiin, AR-1H7527, C27H34O11, CID100528, ACN-035545, C27-H34-O11, C077992, 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(.beta.-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R-trans)-, 20782-48-3,

Complexity	753
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Exact Mass	534.21g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	534.558g/mol
Monoisotopic Mass	534.21g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	153A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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