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Yashabushidiol A

CAT: 0804-HY-N13506Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N13506Size:1 Each
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Description
Yashabushidiol A is a natural product that can be isolated from Alnus sieboldiana[1].
CAS Number
52393-53-0
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/yashabushidiol-a.html
Smiles
O[C@H](CCC1=CC=CC=C1)C[C@@H](O)CCC2=CC=CC=C2
Molecular Formula
C19H24O2
Molecular Weight
284.39
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Yashabushidiol A

(3R,5S)-1,7-diphenylheptane-3,5-diol has been reported in Alpinia hainanensis and Alnus sieboldiana with data available.

CAS Number52393-53-0
PubChem CID21637670
IUPAC Name(3S,5R)-1,7-diphenylheptane-3,5-diol
Molecular FormulaC19H24O2
Molecular Weight284.4
XLogP4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity228
SMILES
C1=CC=C(C=C1)CC[C@H](C[C@H](CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C19H24O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-10,18-21H,11-15H2/t18-,19+
InChIKey
QSUSPILNZCEGPK-KDURUIRLSA-N
Chemical Structure
2D Structure
2D structure of Yashabushidiol A
CAS: 52393-53-0
CID: 21637670
Formula: C19H24O2
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass284.177630004
Monoisotopic Mass284.177630004
Topological Polar Surface Area40.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity228
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN6376Yashabushidiol A
TN6367(+) -Yashabushidiol B
MBS5788452(+)-Yashabushidiol B

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