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Odontoside

CAT: 0931-T125407-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125407-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20300-50-9
Target
Others
Related Pathways
Others
Bioactivity
Odontoside is a natural product that can be used as a reference standard. The CAS number of Odontoside is 20300-50-9.
Smiles
OC[C@H]1O[C@@H](Oc2ccc(COC(=O)c3ccc(O)c(O)c3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C20H22O11
Molecular Weight
438.385
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oreganol

Oreganol is a glycoside.

CAS Number20300-50-9
PubChem CID5320735
IUPAC Name[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
Molecular FormulaC20H22O11
Molecular Weight438.4
XLogP0
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity589
SMILES
C1=CC(=C(C=C1COC(=O)C2=CC(=C(C=C2)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C20H22O11/c21-7-15-16(25)17(26)18(27)20(31-15)30-14-4-1-9(5-13(14)24)8-29-19(28)10-2-3-11(22)12(23)6-10/h1-6,15-18,20-27H,7-8H2/t15-,16-,17+,18-,20-/m1/s1
InChIKey
MFOVLHFTNQGRLH-BFMVXSJESA-N
Chemical Structure
2D Structure
2D structure of Oreganol
CAS: 20300-50-9
CID: 5320735
Formula: C20H22O11
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP30
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass438.11621151
Monoisotopic Mass438.11621151
Topological Polar Surface Area186 Ų
Heavy Atom Count31
Formal Charge0
Complexity589
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

Related Products

CatalogName
T75669-01Odoroside A
TN4697Odoroside H

Alternative Products

CatalogName
M32502-01Odontoside

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