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B-Dihydroplumericin

CAT: 0013-GTR19229074-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229074-01Size:1 mg
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Description
B-Dihydroplumericin (CAS 59170-11-5) is a research chemical used in life science studies. It has been investigated in vitro for its potential biological activities, including in assays related to apoptosis and cytotoxicity.
CAS Number
59170-11-5
Smiles
[H][C@@]12C=C[C@@]34OC (=O) [C@@H] (CC) C3O[C@@H] (OC=C1C (=O) OC) [C@@]24[H]
Molecular Formula
C15H16O6
Molecular Weight
292.287
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

b-Dihydroplumericin
CAS Number59170-11-5
PubChem CID57509488
IUPAC Namemethyl (1S,4S,8R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
Molecular FormulaC15H16O6
Molecular Weight292.28
XLogP1.1
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity579
SMILES
CC[C@H]1C2[C@@]3(C=C[C@H]4[C@@H]3[C@@H](O2)OC=C4C(=O)OC)OC1=O
InChI
InChI=1S/C15H16O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h4-8,10-11,14H,3H2,1-2H3/t7-,8+,10+,11?,14+,15-/m0/s1
InChIKey
LEYGRBGYJYVHJL-ZKQFBGJWSA-N
Chemical Structure
2D Structure
2D structure of b-Dihydroplumericin
CAS: 59170-11-5
CID: 57509488
Formula: C15H16O6
MW: 292.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.28
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass292.09468823
Monoisotopic Mass292.09468823
Topological Polar Surface Area71.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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