(1S,5S,6R)-5-(Acetyloxy)-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Methyl Ester - CAS 494195-98-1

Catalog:	BB075428
Product Name:	(1S,5S,6R)-5-(Acetyloxy)-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Methyl Ester
CAS:	494195-98-1
Synonyms:	(1S,5S,6R)-5-(Acetyloxy)-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Methyl Ester; methyl (1S,5S,6R)-5-acetyloxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate; Methyl (1S,5S,6R)-5-acetoxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate; (1alpha,6alpha)-5alpha-Acetoxy-7-oxabicyclo[4.1.0]hepta-2-ene-3-carboxylic acid methyl ester

Technical Data

IUPAC Name:	methyl (1S,5S,6R)-5-acetyloxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate
Description:	(1S,5S,6R)-5-(Acetyloxy)-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Methyl Ester is an intermediate for the synthesis of epoxyquinols A, B, and C.
Molecular Weight:	212.2
Molecular Formula:	C10H12O5
Canonical SMILES:	CC(=O)OC1CC(=CC2C1O2)C(=O)OC
InChI:	InChI=1S/C10H12O5/c1-5(11)14-7-3-6(10(12)13-2)4-8-9(7)15-8/h4,7-9H,3H2,1-2H3/t7-,8-,9+/m0/s1
InChI Key:	CAHCTLXUBYFEJL-XHNCKOQMSA-N
Appearance:	Chloroform, DCM
References:	Shoji, M., et al. J. Org. Chem., 70, 79 (2005); Shoji, M., et al. Tetrahedron. Lett., 43, 9155 (2002).

Complexity:	333
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	212.06847348
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.06847348
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2