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Cochliomycin C

CAT: 0013-GTR19266364-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266364-02Size:10 mg
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Description
Cochliomycin C is a macrolide that can be isolated from the fungus Cochliobolus lunatus, which is derived from gorgonian corals.
CAS Number
1278520-10-7
Smiles
ClC1=C/2C (=C (O) C=C1OC) C (=O) O[C@@H] (C) CCC[C@H] (O) [C@@H] (O) [C@@H] (O) C\C=C2
Molecular Formula
C19H25ClO7
Molecular Weight
400.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4S,8S,9R,10S,12E)-15-chloro-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
CAS Number1278520-10-7
PubChem CID132520560
IUPAC Name(4S,8S,9R,10S,12E)-15-chloro-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
Molecular FormulaC19H25ClO7
Molecular Weight400.8
XLogP3
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity514
SMILES
C[C@H]1CCC[C@@H]([C@H]([C@H](C/C=C/C2=C(C(=CC(=C2Cl)OC)O)C(=O)O1)O)O)O
InChI
InChI=1S/C19H25ClO7/c1-10-5-3-7-12(21)18(24)13(22)8-4-6-11-16(19(25)27-10)14(23)9-15(26-2)17(11)20/h4,6,9-10,12-13,18,21-24H,3,5,7-8H2,1-2H3/b6-4+/t10-,12-,13-,18+/m0/s1
InChIKey
XGLNDLGMFSZWKZ-KZVCUVRISA-N
Chemical Structure
2D Structure
2D structure of (4S,8S,9R,10S,12E)-15-chloro-8,9,10,18-tetrahydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
CAS: 1278520-10-7
CID: 132520560
Formula: C19H25ClO7
MW: 400.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.8
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass400.1288808
Monoisotopic Mass400.1288808
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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