Basic information
- CAS
104157-30-4- Standard SMILES
O=C1c2ccccc2C(=O)c2cc3c(cc21)C1OC3C2=C1CC1C(=O)c3ccccc3C(=O)C1C2- InChIKey
FWWAJRGXMDAZKY-UHFFFAOYSA-N- Molecular formula
- C30H18O5
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.11542367
Names & identifiers
- Preferred name
- 5a,6,7,16,17,17a-Hexahydro-7,16-epoxyheptacene-5,9,14,18-tetrone
- IUPAC
- 31-oxaoctacyclo[14.14.1.02,15.04,13.06,11.017,30.019,28.021,26]hentriaconta-2,4(13),6,8,10,14,17(30),21,23,25-decaene-5,12,20,27-tetrone
Names & synonyms
104157-30-4DTXSID905449635a,6,7,16,17,17a-Hexahydro-7,16-epoxyheptacene-5,9,14,18-tetroneRefChem:305077DTXCID30495748
Database identifiers
- CAS
104157-30-4- PubChem CID
- 13610550
- DTXSID
DTXSID90544963
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 989
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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