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Koninginin E

CAT: 0931-T125746-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125746-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154631-25-1
Target
Others
Related Pathways
Others
Bioactivity
Koninginin E is a natural product that can be used as a reference standard. The CAS number of Koninginin E is 154631-25-1.
Smiles
CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O
Molecular Formula
C16H26O4
Molecular Weight
282.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Koninginin E

Koninginin E is a benzopyran.

CAS Number154631-25-1
PubChem CID11426065
IUPAC Name(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
Molecular FormulaC16H26O4
Molecular Weight282.37
XLogP2.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity375
SMILES
CCCCCC[C@@H]([C@@H]1CCC2=C(O1)[C@@H](CCC2=O)O)O
InChI
InChI=1S/C16H26O4/c1-2-3-4-5-6-13(18)15-10-7-11-12(17)8-9-14(19)16(11)20-15/h13-15,18-19H,2-10H2,1H3/t13-,14+,15-/m0/s1
InChIKey
INHVGPIPHZJQOP-ZNMIVQPWSA-N
Chemical Structure
2D Structure
2D structure of Koninginin E
CAS: 154631-25-1
CID: 11426065
Formula: C16H26O4
MW: 282.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.37
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass282.18310931
Monoisotopic Mass282.18310931
Topological Polar Surface Area66.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity375
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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GTR19277958-01Koninginin D
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