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Robustic acid

CAT: 0013-GTR19192855-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192855-01Size:25 mg
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Description
Robustic acid is a natural coumarin compound isolated from Millettia thonningii. It is utilized in biochemical research, particularly in in vitro studies investigating its potential biological activities, such as its reported anti-inflammatory and antioxidant properties.
CAS Number
5307-59-5
Smiles
O=C1OC=2C=C3OC (C=CC3=C (OC) C2C (O) =C1C=4C=CC (OC) =CC4) (C) C
Molecular Formula
C22H20O6
Molecular Weight
380.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Robustic Acid

6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethyl-8-pyrano[3,2-g][1]benzopyranone is an organic hydroxy compound and an isoflavonoid.

CAS Number5307-59-5
PubChem CID54677407
IUPAC Name6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
Molecular FormulaC22H20O6
Molecular Weight380.4
XLogP3.8
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity673
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)C
InChI
InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3
InChIKey
MBZKDBQDALOSRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Robustic Acid
CAS: 5307-59-5
CID: 54677407
Formula: C22H20O6
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass380.12598835
Monoisotopic Mass380.12598835
Topological Polar Surface Area74.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity673
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

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