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Penitremone-A

CAT: 0013-GTR19228275-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228275-02Size:2 mg
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Description
Penitremone-A (CAS 164124-57-6) is a research chemical used in life science studies. It serves as a tool compound in neuroscience research, particularly for investigating tremorgenic mechanisms and ion channel function in both in vitro and in vivo experimental models.
CAS Number
164124-57-6
Smiles
CC1C2CC3C2c2c (ccc4[nH]c5c (C (OC3 (C) C) C3CCC6 (O) C78OC7C (O) C (OC8CCC6 (C) C53C) C (C) =C) c24) C1=O
Molecular Formula
C37H45NO6
Molecular Weight
599.768
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Penitremone-A
CAS Number164124-57-6
PubChem CID73154043
IUPAC Name5,9-dihydroxy-15,16,24,33,33-pentamethyl-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraen-23-one
Molecular FormulaC37H45NO6
Molecular Weight599.8
XLogP4.3
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count44
Formal Charge0
Complexity1360
SMILES
CC1C2CC3C2C4=C(C1=O)C=CC5=C4C6=C(N5)C7(C(C6OC3(C)C)CCC8(C7(CCC9C81C(O1)C(C(O9)C(=C)C)O)C)O)C
InChI
InChI=1S/C37H45NO6/c1-15(2)29-28(40)32-37(44-32)22(42-29)11-12-34(6)35(7)19(10-13-36(34,37)41)30-26-25-21(38-31(26)35)9-8-17-24(25)23-18(16(3)27(17)39)14-20(23)33(4,5)43-30/h8-9,16,18-20,22-23,28-30,32,38,40-41H,1,10-14H2,2-7H3
InChIKey
CAWZUZRJLGSYNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Penitremone-A
CAS: 164124-57-6
CID: 73154043
Formula: C37H45NO6
MW: 599.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight599.8
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass599.32468816
Monoisotopic Mass599.32468816
Topological Polar Surface Area104 Ų
Heavy Atom Count44
Formal Charge0
Complexity1360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count14
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T125652-01Penitremone-A

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