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Toddalolactone 3'-O-methyl ether

CAT: 0804-HY-N13439Size: 1 EachDry Ice: NoHazardous: No
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Description
Toddalolactone 3'-O-methyl ether is a natural product[1].
CAS Number
143614-35-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/toddalolactone-3-o-methyl-ether.html
Smiles
COC(C)(C)[C@@H](O)CC1=C(OC)C=C(OC(C=C2)=O)C2=C1OC
Molecular Formula
C17H22O6
Molecular Weight
322.35
References & Citations
[1]Harvey A L. Natural products in drug discovery[J]. Drug discovery today, 2008, 13 (19-20) : 894-901.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
CAS Number143614-35-1
PubChem CID15071016
IUPAC Name6-(2-hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
Molecular FormulaC17H22O6
Molecular Weight322.4
XLogP2
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity446
SMILES
CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)OC
InChI
InChI=1S/C17H22O6/c1-17(2,22-5)14(18)8-11-12(20-3)9-13-10(16(11)21-4)6-7-15(19)23-13/h6-7,9,14,18H,8H2,1-5H3
InChIKey
OWHTXFVUUCBRRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
CAS: 143614-35-1
CID: 15071016
Formula: C17H22O6
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass322.14163842
Monoisotopic Mass322.14163842
Topological Polar Surface Area74.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity446
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
TFA61435-01Toddalolactone 3′-o-methyl ether
MBS5787997Toddalolactone 3?-O-methyl ether
MBS5787994Toddalolactone 3?-O-ethyl ether
TN5893Toddalolactone 3′-O-ethyl ether
M32319-01Toddalolactone 3-O-methyl ether (6- (2-Hydroxy-3-methoxy-3-methylbutyl) -5,7-dimethoxycoumarin)
TRC-B693430-50MGBuprenorphine 3-O-Methyl Ether
TN5889(-) -Toddalolactone 3′-O-β-D-glucopyranoside
443587-01Buprenorphine 3-O-Methyl Ether discontinued
GTR191782891β-Methoxydiversifolin 3-O-methyl ether
TN8817-011β-Ethoxydiversifolin 3-O-methyl ether

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