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Home > Other Heterocycles > 18885-59-1
18885-59-1 | 3-Oxabicyclo[4.2.0]octa-5,7-dien-4-one, 1-[(1R)-4,4-dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-, (1S)-
CAS No: 18885-59-1 Catalog No: AG002HF4 MDL No:
Product Description
Catalog Number:
AG002HF4
Chemical Name:
3-Oxabicyclo[4.2.0]octa-5,7-dien-4-one, 1-[(1R)-4,4-dimethyl-2-oxocyclopentyl]-5-(hydroxymethyl)-, (1S)-
CAS Number:
18885-59-1
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
1-(4,4-dimethyl-2-oxocyclopentyl)-5-(hydroxymethyl)-3-oxabicyclo[4.2.0]octa-5,7-dien-4-one
InChI:
InChI=1S/C15H18O4/c1-14(2)5-11(12(17)6-14)15-4-3-10(15)9(7-16)13(18)19-8-15/h3-4,11,16H,5-8H2,1-2H3
InChI Key:
CKOLHOCKIPCVQL-UHFFFAOYSA-N
SMILES:
OCC1=C2C=C[C@]2(COC1=O)[C@H]1CC(CC1=O)(C)C
NSC Number:
106908
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| The carbohydrate-sesquiterpene interface. directed synthetic routes to both (+)- and (-)-fomannosin from D-glucose. | The Journal of organic chemistry 20080620 |
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