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Spirohexenolide A

CAT: 0931-T89526-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89526-02Size:50 mg
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CAS Number
1193347-22-6
Target
MIF
Related Pathways
Immunology/Inflammation
Bioactivity
Spirohexenolide A is an inhibitor of human macrophage migration inhibitory factor (hMIF) with a dissociation constant (Kd) of 35.9 μM. It is employed in the study of cellular transport.
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

16-Hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
CAS Number1193347-22-6
PubChem CID75068925
IUPAC Name16-hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
Molecular FormulaC25H28O5
Molecular Weight408.5
XLogP3.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity989
SMILES
CC1CC23C(=O)C(=C4C=CC(=CC(CC=CC(=CC2(C=C1C)C)C)O)CO4)C(=O)O3
InChI
InChI=1S/C25H28O5/c1-15-6-5-7-19(26)10-18-8-9-20(29-14-18)21-22(27)25(30-23(21)28)13-17(3)16(2)12-24(25,4)11-15/h5-6,8-12,17,19,26H,7,13-14H2,1-4H3
InChIKey
SWMOMSBFRQXQAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-Hydroxy-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione
CAS: 1193347-22-6
CID: 75068925
Formula: C25H28O5
MW: 408.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass408.19367399
Monoisotopic Mass408.19367399
Topological Polar Surface Area72.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity989
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count4
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TXB34722Spirohexenolide A

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