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Isotriuvaretin

CAT: 0931-T125971-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125971-01Size:1 mg
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CAS Number
137397-72-9
Target
Others
Related Pathways
Others
Bioactivity
Isotriuvaretin is a useful organic compound for research related to life sciences. The catalog number is T125971 and the CAS number is 137397-72-9.
Smiles
COc1c(Cc2ccccc2O)c(O)c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c1C(=O)CCc1ccccc1
Molecular Formula
C37H34O7
Molecular Weight
590.672
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isotriuvaretin

isotriuvaretin has been reported in Uvaria leptocladon and Uvaria tanzaniae with data available.

CAS Number137397-72-9
PubChem CID367173
IUPAC Name1-[2,4-dihydroxy-3-[[2-hydroxy-5-[(2-hydroxyphenyl)methyl]phenyl]methyl]-5-[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one
Molecular FormulaC37H34O7
Molecular Weight590.7
XLogP8
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity876
SMILES
COC1=C(C(=C(C(=C1CC2=CC=CC=C2O)O)CC3=C(C=CC(=C3)CC4=CC=CC=C4O)O)O)C(=O)CCC5=CC=CC=C5
InChI
InChI=1S/C37H34O7/c1-44-37-29(21-26-12-6-8-14-31(26)39)35(42)28(36(43)34(37)33(41)18-15-23-9-3-2-4-10-23)22-27-20-24(16-17-32(27)40)19-25-11-5-7-13-30(25)38/h2-14,16-17,20,38-40,42-43H,15,18-19,21-22H2,1H3
InChIKey
CHUSLHRISJPBMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isotriuvaretin
CAS: 137397-72-9
CID: 367173
Formula: C37H34O7
MW: 590.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.7
XLogP38
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass590.23045342
Monoisotopic Mass590.23045342
Topological Polar Surface Area127 Ų
Heavy Atom Count44
Formal Charge0
Complexity876
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19227995-01Isotriuvaretin

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