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ChemicalBook--->CAS DataBase List--->68370-47-8

68370-47-8

68370-47-8 Structure

68370-47-8 Structure
IdentificationBack Directory
[Name]

(3aS)-3aβ,4,5,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
[CAS]

68370-47-8
[Synonyms]

CS-1321
Mecheliolide
Micheliolide
Micheliolide, BR
Micheliolide 68370-47-8
(3aS)-3aβ,4,5,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one
(3aS,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one
Azuleno[4,5-b]furan-2(3H)-one, 3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy-6,9-dimethyl-3-methylene-, (3aS,9R,9aS,9bS)-
[3aS-(3aalpha,9alpha,9aalpha,9bbeta)]-3a,4,5,7,8,9,9a,9b-Octahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
[Molecular Formula]

C15H20O3
[MDL Number]

MFCD27953044
[MOL File]

68370-47-8.mol
[Molecular Weight]

248.32
Chemical PropertiesBack Directory
[Melting point ]

131-133 °C
[Boiling point ]

426.1±45.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.65±0.40(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C15H20O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h11-13,17H,2,4-7H2,1,3H3/t11-,12-,13-,15+/m0/s1
[InChIKey]

RDJAFOWISVMOJY-PWNZVWSESA-N
[SMILES]

O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
Hazard InformationBack Directory
[Uses]

Micheliolide, a sesquiterpene lactone is used in the inhibition of resistant acute leukemic cells. Selectively targets cancer stem and progenitor cells.
[Definition]

ChEBI: Micheliolide is a sesquiterpene lactone.
Spectrum DetailBack Directory
[Spectrum Detail]

(3aS)-3aβ,4,5,7,8,9,9aβ,9bα-Octahydro-9β-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2(3H)-one(68370-47-8)1HNMR
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