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Toddalolactone 3′-O-ethyl ether

CAT: 0013-GTR19179549Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179549Size:5 mg
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Description
Toddalolactone 3′-O-ethyl ether (CAS 1538607-30-5) is a research chemical used in life science studies. It serves as a biochemical tool for in vitro investigations into natural product derivatives and their potential biological activities.
CAS Number
1538607-30-5
Smiles
CCOC (C) (C) C (Cc (c (OC) cc (O1) c2C=CC1=O) c2OC) O
Molecular Formula
C18H24O6
Molecular Weight
336.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Toddalolactone 3'-O-ethyl ether
CAS Number1538607-30-5
PubChem CID133561528
IUPAC Name6-(3-ethoxy-2-hydroxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
Molecular FormulaC18H24O6
Molecular Weight336.4
XLogP2.3
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity460
SMILES
CCOC(C)(C)C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O
InChI
InChI=1S/C18H24O6/c1-6-23-18(2,3)15(19)9-12-13(21-4)10-14-11(17(12)22-5)7-8-16(20)24-14/h7-8,10,15,19H,6,9H2,1-5H3
InChIKey
WSYBTFKCOVCBPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Toddalolactone 3'-O-ethyl ether
CAS: 1538607-30-5
CID: 133561528
Formula: C18H24O6
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass336.15728848
Monoisotopic Mass336.15728848
Topological Polar Surface Area74.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity460
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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Alternative Products

CatalogName
MBS5787994Toddalolactone 3?-O-ethyl ether
TN5893Toddalolactone 3′-O-ethyl ether
TFA61435-01Toddalolactone 3′-o-methyl ether
HY-N13439Toddalolactone 3'-O-methyl ether
MBS5787997Toddalolactone 3?-O-methyl ether
M32319-01Toddalolactone 3-O-methyl ether (6- (2-Hydroxy-3-methoxy-3-methylbutyl) -5,7-dimethoxycoumarin)
TN5889(-) -Toddalolactone 3′-O-β-D-glucopyranoside
MBS5787990(-)-Toddalolactone 3?-O-beta-D-glucopyranoside
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