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Trilobatin 2''-acetate

CAT: 0931-TN5179-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5179-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
647853-82-5
Target
Others
Related Pathways
Others
Bioactivity
Trilobatin 2''-acetate is a natural product used in life sciences research, catalog number TN5179, CAS number 647853-82-5.
Smiles
CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1
Molecular Formula
C23H26O11
Molecular Weight
478.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phloretin 2'-O-(2''-O-Acetylglucoside)
CAS Number647853-82-5
PubChem CID11167490
IUPAC Name[(2S,3R,4S,5S,6R)-2-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Molecular FormulaC23H26O11
Molecular Weight478.4
XLogP1.4
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity668
SMILES
CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC(=C(C(=C2)O)C(=O)CCC3=CC=C(C=C3)O)O)CO)O)O
InChI
InChI=1S/C23H26O11/c1-11(25)32-22-21(31)20(30)18(10-24)34-23(22)33-14-8-16(28)19(17(29)9-14)15(27)7-4-12-2-5-13(26)6-3-12/h2-3,5-6,8-9,18,20-24,26,28-31H,4,7,10H2,1H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey
QIEAJYJXGQAYRU-DODNOZFWSA-N
Chemical Structure
2D Structure
2D structure of Phloretin 2'-O-(2''-O-Acetylglucoside)
CAS: 647853-82-5
CID: 11167490
Formula: C23H26O11
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP31.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass478.14751164
Monoisotopic Mass478.14751164
Topological Polar Surface Area183 Ų
Heavy Atom Count34
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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