sesamin

sesamin

CAS: 607-80-7

Formula: C20H18O6

SMILES: [H][C@]12CO[C@H](C3=CC=C4OCOC4=C3)[C@@]1([H])CO[C@@H]2C1=CC=C2OCOC2=C1

IUPAC: 5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxole

InChI: InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14+,19-,20-/m1/s1

Composition: C (67.79%), H (5.12%), O (27.09%)

Molar Mass: 354.358

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	D-(+)-sesamin; d-sesamin; episesamin; fagarol; sesamin; sezamin
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	354.1103383
Formal Charge	0
FSP3	0.4
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	PEYUIKBAABKQKQ-AFHBHXEDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.75
Topological Polar Surface Area	55.38
Polarizability	35.86
Ring Count	6
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.7%	<7 Days	607-80-7		$51.43-$87.89$51.43$87.89