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Ebelactone A

CAT: 0931-T38352-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0931-T38352-01Size:500 µg
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CAS Number
76808-16-7
Target
Lipase, Lipid, Aminopeptidase, Antibiotic
Related Pathways
Microbiology/Virology, Metabolism
Bioactivity
Ebelactone A, a mycolic acid β-lactone from Streptomyces sp., is a potent esterase inhibitor thatis capable of inhibiting esterase, lipase, and N-formylmethionine aminopeptidase activity, commonly used as a low-toxicity antibiotic.
Smiles
[C@@H](C/C(=C/[C@H](C([C@H]([C@@H]([C@@H](CC)C)O)C)=O)C)/C)(C)[C@]1([C@H](C)C(=O)O1)[H]
Molecular Formula
C20H34O4
Molecular Weight
338.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ebelactone A

Ebelactone A is a terpene lactone.

CAS Number76808-16-7
PubChem CID6436820
IUPAC Name(3S,4S)-4-[(E,2S,6R,8S,9R,10R)-9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl]-3-methyloxetan-2-one
Molecular FormulaC20H34O4
Molecular Weight338.5
XLogP4.6
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count24
Formal Charge0
Complexity482
SMILES
CC[C@@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C[C@H](C)[C@H]1[C@@H](C(=O)O1)C)O
InChI
InChI=1S/C20H34O4/c1-8-12(3)17(21)15(6)18(22)13(4)9-11(2)10-14(5)19-16(7)20(23)24-19/h9,12-17,19,21H,8,10H2,1-7H3/b11-9+/t12-,13-,14+,15+,16+,17-,19+/m1/s1
InChIKey
WOISDAHQBUYEAF-QIQXJRRPSA-N
Chemical Structure
2D Structure
2D structure of Ebelactone A
CAS: 76808-16-7
CID: 6436820
Formula: C20H34O4
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass338.24570956
Monoisotopic Mass338.24570956
Topological Polar Surface Area63.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5799020Ebelactone A
MBS5801897Ebelactone A, methyl ester

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