(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 |
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: | 65.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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