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Pilatin

CAT: 0013-GTR19255606-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255606-02Size:10 mg
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Description
Pilatin exhibits inhibitory effects on both bacteria and fungi, and it strongly suppresses the incorporation of thymidine and uridine into DNA and RNA in Ehrlich ascites tumor cells.
CAS Number
119525-97-2
Field of Research
Infectious Disease & Virology
Smiles
O=CC1=CC2 (O) C (OC (=O) C=CCCC) C (C) (C) CC2C34C (=O) OC (O) C14C3
Molecular Formula
C21H26O7
Molecular Weight
390.427
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pilatin

from Flagelloscypha pilatii; structure given in first source

CAS Number119525-97-2
PubChem CID6440835
IUPAC Name[(2R,5R,6R,10S)-8-formyl-6,10-dihydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-5-yl] (E)-hex-2-enoate
Molecular FormulaC21H26O7
Molecular Weight390.4
XLogP1.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity812
SMILES
CCC/C=C/C(=O)O[C@H]1[C@]2(C=C(C34CC3([C@H]2CC1(C)C)C(=O)O[C@@H]4O)C=O)O
InChI
InChI=1S/C21H26O7/c1-4-5-6-7-14(23)27-15-18(2,3)9-13-20-11-19(20,16(24)28-17(20)25)12(10-22)8-21(13,15)26/h6-8,10,13,15-16,24,26H,4-5,9,11H2,1-3H3/b7-6+/t13-,15-,16+,19?,20?,21-/m1/s1
InChIKey
FGNPPWFDUWSHQL-PRGYMIKCSA-N
Chemical Structure
2D Structure
2D structure of Pilatin
CAS: 119525-97-2
CID: 6440835
Formula: C21H26O7
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass390.16785316
Monoisotopic Mass390.16785316
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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