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2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0?,¹?]nonacosa-1(25),9,11,13,26,28-hexaene

2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0?,¹?]nonacosa-1(25),9,11,13,26,28-hexaene

CAS: 14098-41-0

Formula: C22H28O7

SMILES: C1COCCOC2=C(OCCOCCOC3=CC=CC=C3OCCO1)C=CC=C2

IUPAC: 2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.0?,¹?]nonacosa-1(25),9,11,13,26,28-hexaene

InChI: InChI=1S/C22H28O7/c1-3-7-21-19(5-1)26-15-11-23-9-10-24-12-16-27-20-6-2-4-8-22(20)29-18-14-25-13-17-28-21/h1-8H,9-18H2

Composition: C (65.33%), H (6.98%), O (27.69%)

Molar Mass: 404.459

Atom Count: 57

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 404.183503242
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 0
InChIKey JKCQOMAQPUYHPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.16
Topological Polar Surface Area 64.61
Polarizability 42.42
Ring Count 3
Rotatable Bond Count 0

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