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9-Epiblumenol B

CAT: 0804-HY-N2793Size: 1 EachDry Ice: NoHazardous: No
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Description
9-Epiblumenol B is a Sesquiterpenoids product that can be isolated from the herbs of Rosa multiflora Thunb.[1].
CAS Number
22841-42-5
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/9-epiblumenol-b.html
Smiles
O=C1C=C(C)C(CCC(O)C)(O)C(C)(C)C1
Molecular Formula
C13H22O3
Molecular Weight
226.31
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

9-Epiblumenol B

9-Epiblumenol B is a sesquiterpenoid.

CAS Number22841-42-5
PubChem CID14135401
IUPAC Name4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
Molecular FormulaC13H22O3
Molecular Weight226.31
XLogP0.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity317
SMILES
CC1=CC(=O)CC(C1(CCC(C)O)O)(C)C
InChI
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3
InChIKey
CWOFGGNDZOPNFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-Epiblumenol B
CAS: 22841-42-5
CID: 14135401
Formula: C13H22O3
MW: 226.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.31
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass226.15689456
Monoisotopic Mass226.15689456
Topological Polar Surface Area57.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
3794619-Epiblumenol B
OR1023755-019H,9'H-[9,9'-Bifluorene]-9,9'-Dicarbaldehyde
OR1074018-019,9,9',9',9'',9''-Hexahexyl-9H,9'H,9''H-2,2':7',2''-terfluorene
OR1032399-01[9,9'-Bi-9H-Fluorene]-9,9'-dimethanol
FD1472339,9-Dichlorofluorene
sc-4874199,9'-Bifluorenyl
OR1062050-019,9'-Bicarbazole
OR75921-019,9-Dihexylfluorene
sc-4918789,9'-Bianthracene
B10660-019,9'-Bifluorene

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