Sesamolin

CAT: 0926-FS46647-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FS46647-01Size:5 mg

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CAS Number

526-07-8

MDL Number

MFCD04112844

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

Molecular Formula

C20H18O7

Molecular Weight

370.35 g/mol

Controlled

Chemical Information

Sesamolin

Sesamolin is a member of benzodioxoles.

CAS Number	526-07-8
PubChem CID	101746
IUPAC Name	5-[[(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 Formula	C20H18O7
Molecular Weight	370.4
XLogP	3
Topological Polar Surface Area	64.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	544

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

CAS: 526-07-8

CID: 101746

Formula: C20H18O7

MW: 370.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	370.4
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	370.10525291
Monoisotopic Mass	370.10525291
Topological Polar Surface Area	64.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	544
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TS109382	Sesamolin
A12123-1	Sesamolin 1mg
A12123-50	Sesamolin 50mg
A12123-10	Sesamolin 10mg
A12123-100	Sesamolin 100mg
A12123-5	Sesamolin 5mg
HY-N0809R	Sesamolin (Standard)
A12123-500	Sesamolin 500mg
A12123-25	Sesamolin 25mg
A12123-10mM-D	Sesamolin 10mM * 1mL in DMSO

Sesamolin

Chemical Information

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