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Macrosphelide L

CAT: 0931-TN10892-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10892-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
431935-18-1
Target
Others
Related Pathways
Others
Bioactivity
Macrosphelide L is an inhibitor of cell adhesion. It prevents HL-60 cells from adhering to HU-VEC cells, with an IC50 of 5.6 μM.
Smiles
O=C1O[C@@H](C)C(=O)CCC(=O)O[C@@H](C)[C@H](O)\C=C\C(=O)O[C@H](C)C1
Molecular Formula
C16H22O8
Molecular Weight
342.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(4R,7E,9R,10S,16S)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12,15-tetrone

(4R,7E,9R,10S,16S)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12,15-tetrone has been reported in Periconia byssoides with data available.

CAS Number431935-18-1
PubChem CID10315318
IUPAC Name(4R,7E,9R,10S,16S)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12,15-tetrone
Molecular FormulaC16H22O8
Molecular Weight342.34
XLogP0.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
C[C@@H]1CC(=O)O[C@H](C(=O)CCC(=O)O[C@H]([C@@H](/C=C/C(=O)O1)O)C)C
InChI
InChI=1S/C16H22O8/c1-9-8-16(21)24-11(3)13(18)5-7-15(20)23-10(2)12(17)4-6-14(19)22-9/h4,6,9-12,17H,5,7-8H2,1-3H3/b6-4+/t9-,10+,11+,12-/m1/s1
InChIKey
OJDUZZJLGZZTSF-HCYIHWLSSA-N
Chemical Structure
2D Structure
2D structure of (4R,7E,9R,10S,16S)-9-hydroxy-4,10,16-trimethyl-1,5,11-trioxacyclohexadec-7-ene-2,6,12,15-tetrone
CAS: 431935-18-1
CID: 10315318
Formula: C16H22O8
MW: 342.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.34
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass342.13146766
Monoisotopic Mass342.13146766
Topological Polar Surface Area116 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
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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