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JC 40

CAT: 0013-GTR19194210Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194210Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JC 40 is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for investigating biological pathways in both in vitro assays and in vivo model studies across various research fields.
CAS Number
126671-68-9
Smiles
CC (C1CCC2C3C (C=C4CC (OP ([O-]) (OCC5OC (n (ccc (=O) [nH]6) c6=O) CC5O) =O) CCC4 (C3CCC12C) C) O) CCCC (C) (O) C.[Na+]
Molecular Formula
C36H56N2NaO10P
Molecular Weight
730.80
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

JC 40

RN given refers to Na salt; RN for parent cpd not avail 9/93

CAS Number126671-68-9
PubChem CID164230
IUPAC Namesodium [5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [7-hydroxy-17-(6-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen phosphate
Molecular FormulaC36H57N2NaO10P+
Molecular Weight731.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count50
Formal Charge1
Complexity1390
SMILES
CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=O)NC6=O)O)C)O)C.[Na+]
InChI
InChI=1S/C36H57N2O10P.Na/c1-21(7-6-13-34(2,3)43)24-8-9-25-32-26(11-15-36(24,25)5)35(4)14-10-23(17-22(35)18-28(32)40)48-49(44,45)46-20-29-27(39)19-31(47-29)38-16-12-30(41)37-33(38)42;/h12,16,18,21,23-29,31-32,39-40,43H,6-11,13-15,17,19-20H2,1-5H3,(H,44,45)(H,37,41,42);/q;+1
InChIKey
PMPQVUXZSCORCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JC 40
CAS: 126671-68-9
CID: 164230
Formula: C36H57N2NaO10P+
MW: 731.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight731.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass731.36485230
Monoisotopic Mass731.36485230
Topological Polar Surface Area175 Ų
Heavy Atom Count50
Formal Charge1
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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