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3′-Hydroxytectoridin

CAT: 0931-TN8443-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8443-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
285565-82-4
Target
Others
Related Pathways
Others
Bioactivity
'3'-Hydroxytectoridin is a flavonoid compound that can be isolated from Belamcandae Rhizoma.
Smiles
O=C1C=2C(=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C2O)OC=C1C4=CC(O)=C(O)C=C4
Molecular Formula
C22H22O12
Molecular Weight
478.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-Hydroxytectoridin

3'-Hydroxyltectoridin has been reported in Iris domestica with data available.

CAS Number285565-82-4
PubChem CID101055346
IUPAC Name3-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O12
Molecular Weight478.4
XLogP0.5
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity760
SMILES
COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O12/c1-31-21-13(33-22-20(30)19(29)17(27)14(6-23)34-22)5-12-15(18(21)28)16(26)9(7-32-12)8-2-3-10(24)11(25)4-8/h2-5,7,14,17,19-20,22-25,27-30H,6H2,1H3/t14-,17-,19+,20-,22-/m1/s1
InChIKey
INKCIKXSWGFQIB-UDEBZQQRSA-N
Chemical Structure
2D Structure
2D structure of 3'-Hydroxytectoridin
CAS: 285565-82-4
CID: 101055346
Formula: C22H22O12
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP30.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass478.11112613
Monoisotopic Mass478.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count34
Formal Charge0
Complexity760
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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CatalogName
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