AG00I8SY

487-36-5 | Phenol,4,4'-[(1S,3aR,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-

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CAS Number	487-36-5
Catalog Number	AG00I8SY(AGN-PC-0S0LDC)
Chemical Name	Phenol,4,4'-[(1S,3aR,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-
IUPAC Name	4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
InChI	InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
InChI Key	HGXBRUKMWQGOIE-AFHBHXEDSA-N
MDL Number	MFCD07784516
Molecular Formula	C20H22O6
Molecular Weight	358.3851
SMILES	OC1=CC=C([C@H]2OC[C@@]3([H])[C@]2([H])CO[C@@H]3C4=CC=C(O)C(OC)=C4)C=C1OC
UNII	V4N1UDY811
Synonyms	pino-resinol, pinoresinol, Pinoresinol, (+)-Pinoresinol, 487-36-5, UNII-V4N1UDY811, CHEBI:40, 4,4'-(1s,3ar,4s,6ar)-tetrahydro-1h,3h-furo[3,4-c]furan-1,4-diylbis(2-methoxyphenol), V4N1UDY811, (7alpha,7'alpha,8alpha,8'alpha)-3,3'-dimethoxy-7,9':7',9-diepoxylignane-4,4'-diol, 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NSC 35444, AC1L2JSJ, AC1Q70YK, SCHEMBL122105, CHEMBL260183, MEGxp0_000829, ACon1_001809, CTK8D3261, Pinoresinol, >=95% (HPLC), 4,4'-((1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol), ZINC4098921, Pinoresinol, >=95.0% (HPLC), MCULE-7010032197, NCGC00180117-01, Pinoresinol, analytical reference material, W1856, C05366, BRD-K78515374-001-01-5, 4,4 inverted exclamation marka-((1S,3aR,4S,6aR)-Hexahydrofuro[3,4-c]furan-1,4-diyl)bis(2-methoxyphenol), 4,4 inverted exclamation marka-[(1S,3aR,4S,6aR)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2-methoxyphenol), 4-[(3S,3aR,6S,6aR)-6-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol, Phenol, 4,4'-(tetrahydro-1H,3H-furo(3,4-c)furan-1,4-diylbis(2-methoxy-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-, Phenol, 4,4'-[(1S,3aR,4R,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-, Phenol,4,4'-[(1S,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-methoxy-, (+/-)-PINORESINOL, C20H22O6, CID73399, NSC35444, AR-1F7396, NSC-35444, ACN-047453, C20-H22-O6, 4263-88-1, 51206-66-7,

Complexity	431
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	358.142g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	358.39g/mol
Monoisotopic Mass	358.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	77.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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