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Resveratrol-13C6

CAT: 0572-TRC-R150002-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R150002-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185247-70-4
Synonyms
Resveratrol-13C6; Resveratrol-(4-hydroxyphenyl-13C6); 5-[2-(4-Hydroxyphenyl-13C6)ethenyl]-1,3-benzenediol; (EZ)-Resveratrol-13C6 (4-hydroxyphenyl-13C6)
Hazard Statement
Causes serious eye irritation.
Purity
>95% (HPLC)
Smiles
O[13c]1[13cH][13cH][13c]([13cH][13cH]1)C=Cc2cc(O)cc(O)c2
Molecular Formula
13C6 C8 H12 O3
Molecular Weight
234.2
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/i3+1,4+1,5+1,6+1,10+1,12+1
Additionnal Information
IUPAC name: 5-[2-(4-hydroxy(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene-1,3-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-((E)-2-(4-Hydroxy(~13~C_6_)phenyl)ethenyl)benzene-1,3-diol
CAS Number1185247-70-4
PubChem CID46782864
IUPAC Name5-[(E)-2-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene-1,3-diol
Molecular FormulaC14H12O3
Molecular Weight234.20
XLogP3.1
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
C1=C(C=C(C=C1O)O)/C=C/[13C]2=[13CH][13CH]=[13C]([13CH]=[13CH]2)O
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+/i3+1,4+1,5+1,6+1,10+1,12+1
InChIKey
LUKBXSAWLPMMSZ-OYESDQHJSA-N
Chemical Structure
2D Structure
2D structure of 5-((E)-2-(4-Hydroxy(~13~C_6_)phenyl)ethenyl)benzene-1,3-diol
CAS: 1185247-70-4
CID: 46782864
Formula: C14H12O3
MW: 234.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.20
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.09877325
Monoisotopic Mass234.09877325
Topological Polar Surface Area60.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-16561S1Resveratrol-13C6
sc-301696Resveratrol-phenyl-13C6
sc-219965Resveratrol-13C6 Trimethyl Ether
HY-16561S2(E/Z) -Resveratrol-13C6
AR-R01379-01Resveratrol-13C6 (cis+trans)
AR-R01390-01Resveratrol-13C6-3-O-ß-D-Glucuronide
HY-137912S1-01Resveratrol-3-O-beta-D-glucuronide-13C6
sc-476375Trans-Resveratrol-13C6 3-O-β-D-Glucuronide
sc-477241Trans-Resveratrol-13C6 4′-O-β-D-Glucuronide
1758-500Resveratrol

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