(-) -Corey lactone benzoate

CAT: 0127-OR46255-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR46255-01Size:250 mg

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CAS Number

39746-00-4

Synonyms

[ (3aR,4S,5R,6aS) -4- (Hydroxymethyl) -2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate

MDL Number

MFCD00674102

Purity

97%

Smiles

OC[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccccc3

Chemical Information

(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one

CAS Number	39746-00-4
PubChem CID	2724454
IUPAC Name	[(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] benzoate
Molecular Formula	C15H16O5
Molecular Weight	276.28
XLogP	1.5
Topological Polar Surface Area	72.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	388

SMILES

C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)CO

InChI

InChI=1S/C15H16O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2/t10-,11-,12+,13-/m1/s1

InChIKey

OBRRYUZUDKVCOO-FVCCEPFGSA-N

Chemical Structure

2D Structure

CAS: 39746-00-4

CID: 2724454

Formula: C15H16O5

MW: 276.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.28
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	276.09977361
Monoisotopic Mass	276.09977361
Topological Polar Surface Area	72.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR46256-01	(+) -Corey lactone
BUP18578	(-) -Corey lactone diol
OR46130-01	(-) Corey lactone 4-phenylbenzoate
BUP21389	Bromoenol lactone
BUP24129-01	Tigogenin lactone
BUP18100	A-Angelica lactone
OR1025721-01	Dehydrocostus Lactone
OR1034367-01	(-) -G-Lactone
OR1007522	Massoia lactone
BUP10862-01	Pitavastatin lactone

Catalog	Name
TRC-C694990-5G	(-)-Corey Lactone Benzoate
sc-486581	(-) -Corey Lactone Benzoate
445030-01	(+) -Corey Lactone Benzoate
sc-205265	Corey Lactone Aldehyde Benzoate
GTR19280653-01	Corey lactone benzoate impurity 1
HY-45119R-01	Corey lactone benzoate impurity 1 (Standard)
RM-T010611-01	Tafluprost Impurity 11 (Corey Lactone Benzoate)
RM-T010614-01	Tafluprost Impurity 14 ((-) -Corey Lactone Benzoate)
TRC-H294010-10G	(+)-Corey Lactone
TRC-C695000-2G	(-)-Corey Lactone