Products for Research Use Only
RegisterLogin

Rotenolone

CAT: 0931-T34394-05Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T34394-05Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
509-96-6
Target
Others
Related Pathways
Others
Purity
0.9927
Bioactivity
Rotenolone (12alpha-HYDROXYROTENONE) is a metabolite of Rotenone which is a natural compound derived from plants of the genera Derris and Lonchocarpus.
Smiles
CC([C@@H](C1)Oc(cc2)c1c(O[C@H](COc(cc1OC)c3cc1OC)[C@@]31O)c2C1=O)=C
Molecular Formula
C23H22O7
Molecular Weight
410.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12A-Hydroxyrotenone

12a-hydroxyrotenone is an organic molecular entity. It has a role as a metabolite.

CAS Number509-96-6
PubChem CID68184
IUPAC Name(1R,6R,13R)-13-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Molecular FormulaC23H22O7
Molecular Weight410.4
XLogP3.3
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity710
SMILES
CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC
InChI
InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
InChIKey
JFVKWCYZKMUTLH-AYPBNUJASA-N
Chemical Structure
2D Structure
2D structure of 12A-Hydroxyrotenone
CAS: 509-96-6
CID: 68184
Formula: C23H22O7
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass410.13655304
Monoisotopic Mass410.13655304
Topological Polar Surface Area83.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T2970-01Rotenone

Alternative Products

CatalogName
MBS5783900Rotenolone

Popular Products