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Sesamolin

CAT: 1299-RM-S051600-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S051600-04Size:100 mg
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CAS Number
526-07-8
Synonyms
5- (((1R,3aR,4S,6aR) -4- (benzo[d][1,3]dioxol-5-yl) hexahydrofuro[3,4-c]furan-1-yl) oxy) benzo[d][1,3]dioxole
Molecular Formula
C20H18O7
Molecular Weight
370.35
Target Alternative Name
Sesamolin
Product Name Synonym
5- (((1R,3aR,4S,6aR) -4- (benzo[d][1,3]dioxol-5-yl) hexahydrofuro[3,4-c]furan-1-yl) oxy) benzo[d][1,3]dioxole

Chemical Information

Sesamolin

Sesamolin is a member of benzodioxoles.

CAS Number526-07-8
PubChem CID101746
IUPAC Name5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-1,3-benzodioxole
Molecular FormulaC20H18O7
Molecular Weight370.4
XLogP3
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity544
SMILES
C1[C@H]2[C@H](CO[C@@H]2OC3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
InChIKey
ZZMNWJVJUKMZJY-AFHBHXEDSA-N
Chemical Structure
2D Structure
2D structure of Sesamolin
CAS: 526-07-8
CID: 101746
Formula: C20H18O7
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass370.10525291
Monoisotopic Mass370.10525291
Topological Polar Surface Area64.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TS109382Sesamolin
A12123-1Sesamolin 1mg
A12123-100Sesamolin 100mg
A12123-5Sesamolin 5mg
A12123-50Sesamolin 50mg
A12123-10Sesamolin 10mg
HY-N0809RSesamolin (Standard)
A12123-500Sesamolin 500mg
A12123-25Sesamolin 25mg
A12123-10mM-DSesamolin 10mM * 1mL in DMSO

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