Basic information
- CAS
81824-11-5- Standard SMILES
O[C@H]1C=Cc2cc3c4c(cccc4c2[C@@H]1O)-c1ccccc1-3- InChIKey
SGNYHFQNLVWBFM-FXAWDEMLSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- Benz(e)acephenanthrylene-11,12-diol, 11,12-dihydro-, trans-
- IUPAC
- (14S,15S)-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,16,18-nonaene-14,15-diol
Names & synonyms
81824-11-5Benz(e)acephenanthrylene-11,12-diol, 11,12-dihydro-, trans-11,12-Dihydrobenz(e)acephenanthrylene-11,12-diol trans-RefChem:321086(14S,15S)-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,16,18-nonaene-14,15-dioltrans-11,12-Dihydro-11,12-dihydroxybenzo[b]fluorantheneDTXSID60100225111,12-Dihydrobenzo[e]acephenanthrylene-11,12-diol(11S,12S)-11,12-dihydrobenzo[e]acephenanthrylene-11,12-diol
Database identifiers
- CAS
81824-11-5- PubChem CID
- 149986
- DTXSID
DTXSID601002251
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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