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(5R) -Platyphyllone

CAT: 0804-HY-167821Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-167821Size:1 mg
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Description
(5R) -Platyphyllone is a natural product that can be isolated from Alnus hirsuta[1].
CAS Number
257301-36-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5r-platyphyllone.html
Smiles
OC(C=C1)=CC=C1CCC(C[C@H](O)CCC2=CC=C(C=C2)O)=O
Molecular Formula
C19H22O4
Molecular Weight
314.38
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(5R)-Platyphyllone

(5R)-1,7-Bis(4-hydroxyphenyl)-5-hydroxy-3-heptanone has been reported in Alnus japonica and Lanxangia tsao-ko with data available.

CAS Number257301-36-3
PubChem CID92448097
IUPAC Name(5R)-5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
Molecular FormulaC19H22O4
Molecular Weight314.4
XLogP2.8
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity341
SMILES
C1=CC(=CC=C1CC[C@H](CC(=O)CCC2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2/t18-/m1/s1
InChIKey
ZBFSUZGUYFFWGY-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of (5R)-Platyphyllone
CAS: 257301-36-3
CID: 92448097
Formula: C19H22O4
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass314.15180918
Monoisotopic Mass314.15180918
Topological Polar Surface Area77.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity341
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

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