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Praeruptorin E

CAT: 0013-GTR19169322-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169322-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Praeruptorin E
CAS Number
78478-28-1
Product Name Alternative
CalciumChannel, Ca channels, Calcium Channel, Ca2+ channels, Inhibitor, inhibit, Praeruptorin E
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
Ethanol:Soluble; DMSO:4.29 mg/mL (10.01 mM) ; Pyridine, Methanol, etc.:Soluble
Smiles
C\C=C (\C) C (=O) O[C@H]1[C@@H] (OC (=O) CC (C) C) c2c (OC1 (C) C) ccc1ccc (=O) oc21
Molecular Formula
C24H28O7
Molecular Weight
428.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Praeruptorin E

(9S,10S)-8,8-dimethyl-10-[(3-methylbutanoyl)oxy]-2-oxo-9H,10H-pyrano[2,3-h]chromen-9-yl (2Z)-2-methylbut-2-enoate has been reported in Musineon divaricatum with data available.

CAS Number78478-28-1
PubChem CID6440581
IUPAC Name[(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC24H28O7
Molecular Weight428.5
XLogP4.4
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity779
SMILES
C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C
InChI
InChI=1S/C24H28O7/c1-7-14(4)23(27)30-22-21(29-18(26)12-13(2)3)19-16(31-24(22,5)6)10-8-15-9-11-17(25)28-20(15)19/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22-/m0/s1
InChIKey
UFUVJROSOIXJGR-WLISBCLRSA-N
Chemical Structure
2D Structure
2D structure of Praeruptorin E
CAS: 78478-28-1
CID: 6440581
Formula: C24H28O7
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass428.18350323
Monoisotopic Mass428.18350323
Topological Polar Surface Area88.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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