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sesamolin

sesamolin

CAS: 526-07-8

Formula: C20H18O7

SMILES: [H][C@]12CO[C@H](C3=CC4=C(OCO4)C=C3)[C@@]1([H])CO[C@@H]2OC1=CC2=C(OCO2)C=C1

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

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-/m1/s1

Composition: C (64.86%), H (4.90%), O (30.24%)

Molar Mass: 370.357

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names sesamolin
Aromatic Ring Count 2
Asymmetric Atom Count 4
Exact Mass 370.10525292
Formal Charge 0
FSP3 0.4
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 0
InChIKey ZZMNWJVJUKMZJY-AFHBHXEDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.55
Topological Polar Surface Area 64.61
Polarizability 36.57
Ring Count 6
Rotatable Bond Count 3

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