Basic information
- CAS
70951-82-5- Standard SMILES
O[C@@H]1[C@@H]2O[C@@H]2c2cc3c4ccccc4c4ccccc4c3cc2[C@H]1O- InChIKey
BDXOSOFNOOCLAD-MBDNFAEBSA-N- Molecular formula
- C22H16O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.10994437
Names & identifiers
- Preferred name
- (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol
- IUPAC
- (17R,19S,20S,21R)-18-oxahexacyclo[12.9.0.02,7.08,13.016,22.017,19]tricosa-1(23),2,4,6,8,10,12,14,16(22)-nonaene-20,21-diol
Names & synonyms
70951-82-5(10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrodibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diolDTXSID20991244Dibenz(5,6:7,8)anthra(1,2-b)oxirene-10,11-diol, 10,11,11a,12a-tetrahydro-, (10alpha,11beta,11aalpha,12aalpha)-10,11,11a,12a-Tetrahydrobenzo[5,6]tetrapheno[10,11-b]oxirene-10,11-diol(10R,11S,11aS,12aR)-10,11,11a,12a-Tetrahydrobenzo[5,6]tetrapheno[10,11-b]oxirene-10,11-diol
Database identifiers
- CAS
70951-82-5- PubChem CID
- 153293
- DTXSID
DTXSID20991244- Nikkaji
- J413.620I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…