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Dehydrocostus Lactone

CAT: 0127-BUP10572-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10572-01Size:5 mg
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CAS Number
477-43-0
Synonyms
Epiligulyl oxide, (-) -Dehydrocostus lactone
Purity
=98%
Smiles
C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C

Chemical Information

(-)-Dehydrocostus lactone

Dehydrocostus lactone is an organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. It has a role as a metabolite, an antineoplastic agent, a trypanocidal drug, a cyclooxygenase 2 inhibitor, an antimycobacterial drug and an apoptosis inducer. It is an organic heterotricyclic compound, a guaiane sesquiterpenoid, a gamma-lactone and a sesquiterpene lactone.

CAS Number477-43-0
PubChem CID73174
IUPAC Name(3aS,6aR,9aR,9bS)-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
Molecular FormulaC15H18O2
Molecular Weight230.30
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity432
SMILES
C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C
InChI
InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
InChIKey
NETSQGRTUNRXEO-XUXIUFHCSA-N
Chemical Structure
2D Structure
2D structure of (-)-Dehydrocostus lactone
CAS: 477-43-0
CID: 73174
Formula: C15H18O2
MW: 230.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.30
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass230.130679813
Monoisotopic Mass230.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N0591-01Dehydrocostus Lactone

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