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Tomazin

CAT: 0013-GTR19228609-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228609-01Size:1 mg
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Description
Tomazin (CAS 27542-14-9) is a natural product suitable for use as an analytical reference standard. It is utilized in biochemical research for in vitro studies investigating its biological activity and potential mechanisms of action.
CAS Number
27542-14-9
Smiles
C\C=C (\C) C (=O) OC (COc1c2occc2cc2ccc (=O) oc12) C (C) (C) O
Molecular Formula
C21H22O7
Molecular Weight
386.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tomazin
CAS Number27542-14-9
PubChem CID24094122
IUPAC Name[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC21H22O7
Molecular Weight386.4
XLogP3
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity666
SMILES
C/C=C(/C)\C(=O)OC(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C(C)(C)O
InChI
InChI=1S/C21H22O7/c1-5-12(2)20(23)27-15(21(3,4)24)11-26-19-17-14(8-9-25-17)10-13-6-7-16(22)28-18(13)19/h5-10,15,24H,11H2,1-4H3/b12-5-
InChIKey
VJVXQSFKTVUEFY-XGICHPGQSA-N
Chemical Structure
2D Structure
2D structure of Tomazin
CAS: 27542-14-9
CID: 24094122
Formula: C21H22O7
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass386.13655304
Monoisotopic Mass386.13655304
Topological Polar Surface Area95.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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