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Dehydrorotenone

CAT: 0931-T25300-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25300-03Size:100 mg
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CAS Number
3466-09-9
Target
Others
Related Pathways
Others
Bioactivity
Dehydrorotenone is a retinoid of Tephrosia egregia and has great antioxidant activity.
Smiles
O=C1C=2C(=C3C(O[C@@H](C(C)=C)C3)=CC2)OC4=C1C=5C(OC4)=CC(OC)=C(OC)C5
Molecular Formula
C23H20O6
Molecular Weight
392.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dehydrorotenone

(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12H)-one, 1,2-dihydro-2-alpha-isopropyl-8,9-dimethoxy- has been reported in Tephrosia candida, Derris montana, and other organisms with data available.

CAS Number3466-09-9
PubChem CID99190
IUPAC Name(6R)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
Molecular FormulaC23H20O6
Molecular Weight392.4
XLogP4
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity729
SMILES
CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC
InChI
InChI=1S/C23H20O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16H,1,8,10H2,2-4H3/t16-/m1/s1
InChIKey
GFERNZCCTZEIET-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Dehydrorotenone
CAS: 3466-09-9
CID: 99190
Formula: C23H20O6
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass392.12598835
Monoisotopic Mass392.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775033Dehydrorotenone

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