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Kadsutherin F

CAT: 0013-GTR19260706Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260706Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kadsutherin F
CAS Number
2692637-03-7
Purity
90% (HPLC)
Notes
For research use only.

Chemical Information

Kadsutherin F
CAS Number2692637-03-7
PubChem CID171902141
IUPAC Name[(1R,12R,13R,14R,15S)-15-hydroxy-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC27H30O9
Molecular Weight498.5
XLogP3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity1030
SMILES
C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@H]([C@@H](C2=CC(=O)C(=C([C@]23COC4=C3C1=CC5=C4OCO5)OC)OC)O)C)C
InChI
InChI=1S/C27H30O9/c1-7-12(2)26(30)36-21-14(4)13(3)20(29)16-9-17(28)22(31-5)25(32-6)27(16)10-33-24-19(27)15(21)8-18-23(24)35-11-34-18/h7-9,13-14,20-21,29H,10-11H2,1-6H3/b12-7-/t13-,14-,20+,21-,27-/m1/s1
InChIKey
ZYAGGKDBHAWGLY-HJDDKNRWSA-N
Chemical Structure
2D Structure
2D structure of Kadsutherin F
CAS: 2692637-03-7
CID: 171902141
Formula: C27H30O9
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass498.18898253
Monoisotopic Mass498.18898253
Topological Polar Surface Area110 Ų
Heavy Atom Count36
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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