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Cedrin

CAT: 0013-GTR19181885Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181885Size:5 mg
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Description
Cedrin
CAS Number
75513-81-4
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Neuroscience, Protein Biochemistry, Signal Transduction
Smiles
Cc1c (O) cc2O[C@H] ([C@H] (O) C (=O) c2c1O) c1cc (O) c (O) c (O) c1
Molecular Formula
C16H14O8
Molecular Weight
334.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cedrin
CAS Number75513-81-4
PubChem CID3083929
IUPAC Name4,5-dihydroxy-9-methoxy-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Molecular FormulaC15H18O6
Molecular Weight294.30
XLogP0
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity577
SMILES
CC1C2C(C(C3(C=CC(=O)C(=C3C2OC1=O)OC)C)O)O
InChI
InChI=1S/C15H18O6/c1-6-8-10(17)13(18)15(2)5-4-7(16)11(20-3)9(15)12(8)21-14(6)19/h4-6,8,10,12-13,17-18H,1-3H3
InChIKey
NMBLGAVLJLFABK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cedrin
CAS: 75513-81-4
CID: 3083929
Formula: C15H18O6
MW: 294.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.30
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass294.11033829
Monoisotopic Mass294.11033829
Topological Polar Surface Area93.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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