Cholanthrene-9,10-diol
Basic information
- CAS
119053-19-9- Standard SMILES
O[C@H]1C=Cc2c(ccc3c4c5c(cccc5cc23)CC4)[C@@H]1O- InChIKey
VYPTZYOBPOQHIM-ICSRJNTNSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Overview
structure given in first source
Names & identifiers
- Preferred name
- Cholanthrene-9,10-diol
- IUPAC
- (9S,10S)-1,2,9,10-tetrahydrobenzo[j]aceanthrylene-9,10-diol
- English name
- cholanthrene-9,10-diol
- Molecular weight
- 0
Names & synonyms
Cholanthrene-9,10-diol119053-19-9RefChem:91851388262-31-1Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-, trans-DTXSID409228581,2,9,10-Tetrahydrocyclopenta[ij]tetraphene-9,10-diol(9S,10S)-1,2,9,10-Tetrahydrocyclopenta[ij]tetraphene-9,10-diolBenz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-, trans-(+-)-
Database identifiers
- CAS
119053-19-9、88262-31-1- PubChem CID
- 159240
- DTXSID
DTXSID40922858
Properties
Computed structural properties
- XLogP
- 3.6
- 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
Loading…