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14553-78-7 | Pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4,6,8(32),11,13,15(31),18,20,22(30),25,27-dodecaene
CAS No: 14553-78-7 Catalog No: AG001D5S MDL No:
Product Description
Catalog Number:
AG001D5S
Chemical Name:
Pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4,6,8(32),11,13,15(31),18,20,22(30),25,27-dodecaene
CAS Number:
14553-78-7
Molecular Formula:
C32H32
Molecular Weight:
416.5965
IUPAC Name:
pentacyclo[23.3.1.14,8.111,15.118,22]dotriaconta-1(29),4(32),5,7,11(31),12,14,18,20,22(30),25,27-dodecaene
InChI:
InChI=1S/C32H32/c1-5-25-13-15-27-7-2-9-29(22-27)17-19-31-11-4-12-32(24-31)20-18-30-10-3-8-28(23-30)16-14-26(6-1)21-25/h1-12,21-24H,13-20H2
InChI Key:
RPZUIBTUXGLVPW-UHFFFAOYSA-N
SMILES:
c1cc2CCc3cccc(c3)CCc3cccc(CCc4cc(CCc(c1)c2)ccc4)c3
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.25g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.608g/mol
Monoisotopic Mass:
416.25g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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