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5,23-Dimethyl-14-oxahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione

HCID 348389
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Basic information

CAS
7499-49-2
Standard SMILES
Cc1ccc2c(c1)-c1c(c3c(c4c1-c1cc(C)ccc1CC4)C(=O)OC3=O)CC2
InChIKey
JWSPOXWSLJIANC-UHFFFAOYSA-N
Molecular formula
C26H20O3
Average molar mass
380.4 g/mol
Monoisotopic mass
380.1412445

Names & identifiers

Preferred name
5,23-Dimethyl-14-oxahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione
IUPAC
5,23-dimethyl-14-oxahexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosa-1(17),2(11),3(8),4,6,12(16),20(25),21,23-nonaene-13,15-dione

Names & synonyms

NSC4076627499-49-2DTXSID50324763NSC-40766210,13-Dimethyl-1,2,6,7-tetrahydrodibenzo[3,4:5,6]phenanthro[9,10-c]furan-3,5-dione

Database identifiers

CAS
7499-49-2
PubChem CID
348389
DTXSID
DTXSID50324763

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
29
Formal charge
0
Complexity
642

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Compound notes

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