AG00381G

154-23-4 | (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

AG00381G

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CAS Number	154-23-4
Catalog Number	AG00381G(AGN-PC-0Q6PET)
Chemical Name	(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
IUPAC Name	(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
InChI Key	PFTAWBLQPZVEMU-DZGCQCFKSA-N
MDL Number	MFCD00075649
Molecular Formula	C15H14O6
Molecular Weight	290.2681
SMILES	OC=1C=C(C=CC1O)[C@H]1OC=2C(C[C@@H]1O)=C(C=C(C2)O)O
UNII	8R1V1STN48
Synonyms	(+)-Catechin, (+)-Cyanidanol, (+)-Cyanidanol-3, (-)-Epicatechin, (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-, 3,3',4',5,7-Flavanpentol, Catechin, Catechinic Acid, Catechuic Acid, Catergen, Cianidanol, Cyanidanol 3, Cyanidanol-3, Epicatechin, KB 53, KB-53, KB53, Z 7300, Zyma, Cianidanol, (+)-catechin, CATECHIN, 154-23-4, Catechuic acid, Cyanidanol, Catechinic acid, D-Catechin, Catergen, Cianidol, (+)-Cyanidanol, (+)-Catechol, (+)-Cyanidan-3-ol, Biocatechin, D-(+)-Catechin, (+)-Catechin Hydrate, Catechin (flavan), Catechol (flavan), Dexcyanidanol, D-Catechol, (2R,3S)-Catechin, (2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, Gambier, 3-Cyanidanol, (+)-, Cianidanolum, Catechu, Transepar, Katha, (2R,3S)-(+)-Catechin, (+)-Cianidanol, Cutch (dye), 3,3',4',5,7-Flavanpentol, KB-53, (+)-Cyanidanol-3, CCRIS 6855, (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol, Cianidanol [INN:JAN], C.I. Natural Brown 3, Cianidanolum [INN-Latin], NSC 2819, UNII-8R1V1STN48, Catechol (+), 2,3-trans-catechin, 2,3-Dihydro-4-desoxoquercetin, CHEBI:15600, AI3-22757, NSC2819, (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol, CATECHIN, D, (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-, EINECS 205-825-1, Catechin-(+,-) hydrate, 7295-85-4, (2R,3S)-3,3',4',5,7-Flavanpentol, 8R1V1STN48, CHEMBL311498, PFTAWBLQPZVEMU-DZGCQCFKSA-N, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, NSC-2819, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, 2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-, MFCD00075649, C15H14O6, trans-(+)-3,3',4',5,7-Flavanpentol, Zyma, Cyanidanol-3, (+)-Cyanidol-3, (+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol, (3S,2R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol, (+/-)-Catechin hydrate, Epicatechin-(-), dl-Catechol, (-)-Catechol, MLS001056745, Catechine dl-form, (+/-)-Catechin, (+-)-catechin, KB 53, SR-01000075742, 225937-10-0, SMR000326724, Catechinate, Catechuate, Ent-Catechin, Z 7300, Procyanidin polymer, Teafuran 30A, KXN, Prestwick_998, Sunkatol No. 1, EINECS 230-731-2, Spectrum_000395, (+)-Catechin,(S), 2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol #, Prestwick0_000642, Prestwick0_000817, Prestwick1_000642, Prestwick1_000817, Prestwick2_000642, Prestwick2_000817, Prestwick3_000642, Spectrum2_000167, Spectrum3_000242, Spectrum4_001763, Spectrum5_000345, Epitope ID:116872, AC1L1S8M, Lopac0_000219, SCHEMBL19741, BSPBio_000643, BSPBio_001624, KBioGR_002245, KBioSS_000875, BIDD:ER0378, DivK1c_000647, ( )-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol, (+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol, (-)-trans-3,3',4',5,7-Pentahydroxyflavane, SPBio_000033, SPBio_002564, SPBio_002634, BPBio1_000709, cid_107957, DTXSID3022322, ACon1_001489, BDBM23416, BDBM60836, HMS502A09, KBio1_000647, KBio2_000875, KBio2_003443, KBio2_006011, KBio3_001124, KS-00000ZEC, 3,3',4',5,7 Cflavanpentol, YK-85 Light Yellow Powder 85, 4c94, NINDS_000647, HMS1570A05, HMS1570D15, HMS2097A05, HMS3260L19, Pharmakon1600-00210205, ZINC119983, (+)-Catechin, analytical standard, HY-N0898, TNP00270, Tox21_500219, 6282AF, ANW-46737, CCG-40007, LMPK12020001, NSC755824, s4722, Cianidanol solution, 20 mM in DMSO, trans3,3,4,5,7 pentahydroxyflavane, AKOS015960546, trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, CS-3759, LP00219, MCULE-1532117250, ND-0342, NSC-755824, SDCCGMLS-0066526.P001, IDI1_000647, NCGC00017331-01, NCGC00017331-02, NCGC00017331-03, NCGC00017331-04, NCGC00017331-05, NCGC00093689-01, NCGC00093689-02, NCGC00093689-03, NCGC00260904-01, (+)-Catechin solution, 20 mM in DMSO, 100786-01-4, AC-11608, AJ-11643, AN-44045, BC202817, LS-39923, LS-53711, NCI60_002303, SC-46023, ST057176, ZB004048, SBI-0050207.P003, AX8035583, ST2407915, TC-135482, EU-0100219, FT-0613995, ST24039239, (-)-trans-3,3',4',5,7-Pentahydroxyflavan, (2S,3R)-3,3',4',5,7-Pentahydroxyflavane, A12029, C 1251, C06562, Cianidanol, disposable screening library format, AB00051886_13, 154C234, A809512, NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER), Q-100183, SR-01000075742-1, SR-01000075742-7, SR-01000075742-8, SR-01000075742-9, BRD-K58736316-001-07-9, BRD-K58736316-001-08-7, SR-01000075742-10, SR-01000075742-12, SR-01000075742-14, D4A04A57-7609-451F-A446-53F4DFAD15F5, UNII-5J4Y243W61 component PFTAWBLQPZVEMU-DZGCQCFKSA-N, (2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol;hydrate, (+)-Catechin, United States Pharmacopeia (USP) Reference Standard, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol, (+)-Catechin, Pharmaceutical Secondary Standard; Certified Reference Material, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;hydrate, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate, (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol, (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate, (2R-trans)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans), 2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-, 2H-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-, 321-01-7, InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s, catechol, Cyanidol, Epicatechin, DL-Catechin, (-)-Epicatechin, Catechin l-form, Cyanidanol 3, (-)-Catechin, (+)-catechinhydrate, ( -)-Catechin, CI Natural Brown 3, Catechol, (.+.)-, UNII-5J4Y243W61, KB53, CID9064, 5J4Y243W61, ACN-035368, C15-H14-O6, 2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, 2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol, D002392, (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-rel-, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, trans-(.+.)-, 1162654-18-3, 490-46-0, 8001-48-7,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	290.079g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	290.271g/mol
Monoisotopic Mass	290.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number