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Yuehgesin C

CAT: 0804-HY-N1058Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N1058Size:1 Each
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Description
Yuehgesin C is a Coumarins product that can be isolated from the herbs of Murraya paniculata[1].
CAS Number
125072-68-6
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/yuehgesin-c.html
Smiles
O=C1C=CC2=CC=C(OC)C(C[C@H](O)C(C)(OCC)C)=C2O1
Molecular Formula
C17H22O5
Molecular Weight
306.35
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
Phase 2

Chemical Information

8-(3-Ethoxy-2-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one

8-(3-Ethoxy-2-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one has been reported in Glycosmis pentaphylla and Murraya exotica with data available.

CAS Number125072-68-6
PubChem CID5319451
IUPAC Name8-(3-ethoxy-2-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
Molecular FormulaC17H22O5
Molecular Weight306.4
XLogP2.4
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity417
SMILES
CCOC(C)(C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O
InChI
InChI=1S/C17H22O5/c1-5-21-17(2,3)14(18)10-12-13(20-4)8-6-11-7-9-15(19)22-16(11)12/h6-9,14,18H,5,10H2,1-4H3
InChIKey
ZEJUDJOXRYEYKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-(3-Ethoxy-2-hydroxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one
CAS: 125072-68-6
CID: 5319451
Formula: C17H22O5
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass306.14672380
Monoisotopic Mass306.14672380
Topological Polar Surface Area65 Ų
Heavy Atom Count22
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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