AG003BQQ

31752-99-5 | (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate

AG003BQQ

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CAS Number	31752-99-5
Catalog Number	AG003BQQ(AGN-PC-0WA1ZB)
Chemical Name	(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl Biphenyl-4-carboxylate
EC Number	608-667-5
IUPAC Name	[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
InChI	InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1
InChI Key	SZJVIFMPKWMGSX-AKHDSKFASA-N
MDL Number	MFCD00078077
Molecular Formula	C21H20O5
Molecular Weight	352.3805
SMILES	O=C(C1=CC=C(C2=CC=CC=C2)C=C1)O[C@H](C3)[C@H](CO)[C@](C4)([H])[C@@]3([H])OC4=O
Synonyms	31752-99-5, Corey lactone 4-phenylbenzoate, (-)-Corey lactone 4-phenylbenzoate alcohol, (3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate, (-)-Corey Lactone 5-(4-Phenylbenzoate), (-)-Corey lactone 4-phenylbenzoate, (-)-Corey lactone, 4-phenylbenzoate alcohol, (-)-Corey lactone,4-phenylbenzoate alcohol, [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate, Corey lactone p-phenylbenzoate alcohol, (3aR,4S,5R,6aS)-[1,1'-Biphenyl]-4-carboxylic acid, hexahydro-4-(methoxymethyl)-2-oxo-2H-cyclopentafuran-5-yl ester, (3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate, AC1MC4MK, TimTec1_004986, AC1Q77S9, SCHEMBL12013754, CTK8F1399, DTXSID00369124, SZJVIFMPKWMGSX-AKHDSKFASA-N, HMS1548C14, 39265-57-1, ZINC4261895, CC-860, MFCD00078077, AKOS024438682, AC-6092, AN-7020, RP17684, AK208796, BC226262, CS-11497, TL8002426, Z-3363, 752C995, A820979, (-)-Corey lactone, 4-phenylbenzoate alcohol, 99%, (3aR,4S,5R,6aS)-Hexahydro-4-hydroxymethyl-5-(4-phenylbenzoyloxy)cyclopenta[b]furan-2-one, BIPHENYL-4-CARBOXYLIC ACID 4-HO-METHYL-2-OXO-6H-CYCLOPENTA(B)FURAN-5-YL ESTER, (3a|A,4|A,5|A,6a|A)-(-)-Hexahydro-4-(hydroxymethyl)-2-oxo-2H-cyclopenta[b]furan-5-yl 1,1 inverted exclamation marka-biphenyl-4-carboxylate, (3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-hexahydro-2H-cyclopenta[b]furan-5-yl 4-phenylbenzoate, (3aR,4S,5R,6aS)-4-(Hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-Phenylbenzoate, (3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-(4-phenylbenzoyloxy)-2H-cyclopenta[b]furan-2-one, (3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-(4-phenylbenzoyloxy)cyclopenta[b]furan-2-one, [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxidanylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate, 4-phenylbenzoic acid [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester, (-)-Corey lactone, COREY LACTONE, (-)-Corey lactone, 4-PBP, (-)-4-Phenylbenzoyl corey lactone, NSC152529, CID2724295, C2756, (-)-Corey lactone 4-phenylbenzoate alcohol, 99% - 1G 1g,

Complexity	519
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	352.131g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	352.386g/mol
Monoisotopic Mass	352.131g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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