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6,8,16,18,26,28-Hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1(30),3,5(9),10,13,15(19),20,23,25(29)-nonaene

HCID 322499
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Basic information

CAS
26574-50-5
Standard SMILES
c1c2c(cc3c1OCO3)Cc1cc3c(cc1Cc1cc4c(cc1C2)OCO4)OCO3
InChIKey
GUJBSBVUFVCZLV-UHFFFAOYSA-N
Molecular formula
C24H18O6
Average molar mass
402.4 g/mol
Monoisotopic mass
402.11033829

Names & identifiers

Preferred name
6,8,16,18,26,28-Hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1(30),3,5(9),10,13,15(19),20,23,25(29)-nonaene
IUPAC
6,8,16,18,26,28-hexaoxaheptacyclo[21.7.0.03,11.05,9.013,21.015,19.025,29]triaconta-1(30),3,5(9),10,13,15(19),20,23,25(29)-nonaene

Names & synonyms

NSC28043426574-50-5DTXSID80314051NSC-28043411,17-Dihydro-2H,5H,8H,14H-bis[1,3]benzodioxolo[5',6':4,5;5'',6'':7,8]cyclonona[1,2-f][1,3]benzodioxole

Database identifiers

CAS
26574-50-5
PubChem CID
322499
DTXSID
DTXSID80314051
Nikkaji
J910.561A

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
55.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
30
Formal charge
0
Complexity
510

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