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Leustroducsin B

CAT: 0013-GTR19193859-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193859-03Size:100 mg
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Description
Leustroducsin B is a small molecule inducer of colony-stimulating factors (CSF), isolated from Streptomyces platensis SANK 60191. It is utilized in research to study hematopoiesis and immune cell proliferation in both in vitro cell culture and in vivo experimental models.
CAS Number
145142-82-1
Field of Research
Signal Transduction
Smiles
[C@] ([C@@H] (C[C@H] (\C=C/C=C\[C@H]1C[C@@H] (OC (CCCC[C@H] (CC) C) =O) CCC1) O) OP (=O) (O) O) (/C=C/[C@H]2[C@@H] (CC) C=CC (=O) O2) (CCN) O
Molecular Formula
C34H56NO10P
Molecular Weight
669.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Leustroducsin B

Leustroducsin B is a pyranone.

CAS Number145142-82-1
PubChem CID132699
IUPAC Name[3-[8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 6-methyloctanoate
Molecular FormulaC34H56NO10P
Molecular Weight669.8
XLogP1.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Heavy Atom Count46
Formal Charge0
Complexity1100
SMILES
CCC1C=CC(=O)OC1C=CC(CCN)(C(CC(C=CC=CC2CCCC(C2)OC(=O)CCCCC(C)CC)O)OP(=O)(O)O)O
InChI
InChI=1S/C34H56NO10P/c1-4-25(3)11-6-9-16-32(37)43-29-15-10-13-26(23-29)12-7-8-14-28(36)24-31(45-46(40,41)42)34(39,21-22-35)20-19-30-27(5-2)17-18-33(38)44-30/h7-8,12,14,17-20,25-31,36,39H,4-6,9-11,13,15-16,21-24,35H2,1-3H3,(H2,40,41,42)
InChIKey
ZYSAHMPRXHPPAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Leustroducsin B
CAS: 145142-82-1
CID: 132699
Formula: C34H56NO10P
MW: 669.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.8
XLogP31.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count21
Exact Mass669.36418398
Monoisotopic Mass669.36418398
Topological Polar Surface Area186 Ų
Heavy Atom Count46
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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