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Engeletin

CAT: 0926-ME33650-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-ME33650-05Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
572-31-6
Synonyms
Dihydrokaempferol 3-O-α-L-rhamnopyranoside; Engelitin; (2R,3R) -5,7-Dihydroxy-2- (4-hydroxyphenyl) -4-oxo-3,4-dihydro-2H-chromen-3-yl 6-d eoxy-α-L-mannopyranoside
MDL Number
MFCD11113110
Smiles
C[C@H]1[C@@H] ([C@H] ([C@H] ([C@@H] (O1) O[C@@H]2[C@H] (OC3=CC (=CC (=C3C2=O) O) O) C4=CC=C (C=C4) O) O) O) O
Molecular Formula
C21H22O10
Molecular Weight
434.39 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Engeletin

engeletin has been reported in Camellia reticulata, Osyris alba, and other organisms with data available.

CAS Number572-31-6
PubChem CID6453452
IUPAC Name(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O10
Molecular Weight434.4
XLogP0.7
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity638
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
InChI
InChI=1S/C21H22O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-25,27-28H,1H3/t8-,15-,17+,18+,19+,20-,21-/m0/s1
InChIKey
VQUPQWGKORWZII-WDPYGAQVSA-N
Chemical Structure
2D Structure
2D structure of Engeletin
CAS: 572-31-6
CID: 6453452
Formula: C21H22O10
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP30.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass434.12129689
Monoisotopic Mass434.12129689
Topological Polar Surface Area166 Ų
Heavy Atom Count31
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
UTB25015-01Englerin A
UTB25013-01Englerin B

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CatalogName
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A14668-100Engeletin 100mg
A14668-10Engeletin 10mg

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