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Antibiotic Sch 60061

CAT: 0013-GTR19228497-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Antibiotic Sch 60061 (CAS 203061-33-0) is a research chemical used in life science studies. It serves as a tool compound for investigating bacterial mechanisms and has applications in both in vitro biochemical assays and in vivo infection model research.
CAS Number
203061-33-0
Field of Research
Signal Transduction
Smiles
CC (C) =CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCCC (C) (O) CCC\C (C) =C\CC\C (C) =C\CO
Molecular Formula
C45H86O7
Molecular Weight
739.176
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2E,6E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,34-triene-1,11,15,19,23,27,31-heptol

SCH 60061 is a polyprenol.

CAS Number203061-33-0
PubChem CID9853447
IUPAC Name(2E,6E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,11,15,19,23,27,31-heptol
Molecular FormulaC45H86O7
Molecular Weight739.2
XLogP8.6
Topological Polar Surface Area142
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count31
Heavy Atom Count52
Formal Charge0
Complexity1070
SMILES
CC(=CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCCC(C)(CCC/C(=C/CC/C(=C/CO)/C)/C)O)O)O)O)O)O)C
InChI
InChI=1S/C45H86O7/c1-37(2)19-12-24-40(5,47)26-14-28-42(7,49)30-16-32-44(9,51)34-18-35-45(10,52)33-17-31-43(8,50)29-15-27-41(6,48)25-13-22-38(3)20-11-21-39(4)23-36-46/h19-20,23,46-52H,11-18,21-22,24-36H2,1-10H3/b38-20+,39-23+
InChIKey
FPJJIWCMASJCHO-NXRGQNTBSA-N
Chemical Structure
2D Structure
2D structure of (2E,6E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,34-triene-1,11,15,19,23,27,31-heptol
CAS: 203061-33-0
CID: 9853447
Formula: C45H86O7
MW: 739.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight739.2
XLogP38.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count7
Rotatable Bond Count31
Exact Mass738.63735508
Monoisotopic Mass738.63735508
Topological Polar Surface Area142 Ų
Heavy Atom Count52
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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