Ccris 7029
Basic information
- CAS
151378-31-3- Standard SMILES
OC1c2cccc3c2C2(OC2C1O)c1ccc2ccccc2c1-3- InChIKey
BZFMVISIXFGYOM-UHFFFAOYSA-N- Molecular formula
- C20H14O3
- Average molar mass
- 302.3 g/mol
- Monoisotopic mass
- 302.0942943
Names & identifiers
- Preferred name
- Ccris 7029
- IUPAC
- 20-oxahexacyclo[10.8.1.01,19.02,11.05,10.016,21]henicosa-2(11),3,5,7,9,12(21),13,15-octaene-17,18-diol
Names & synonyms
151378-31-3CCRIS 7029151378-32-4CCRIS 7028(11S-(1aS*,11alpha,12beta,12abeta))-12,12a-Dihydro-11H-benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diolr-4,t-5-Dihydroxy-c-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthener-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene11H-Benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diol, 12,12a-dihydro-, (11S-(1aR*,11-alpha,12-beta,12a-alpha))-11H-Benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diol, 12,12a-dihydro-, (11S-(1aS*,11-alpha,12-beta,12a-beta))-DTXSID70934247(11S-(1aR*,11alpha,12beta,12aalpha))-12,12a-dihydro-11H-benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diol12,12a-Dihydro-11H-benzo[7,8]fluorantheno[1,10b-b]oxirene-11,12-diol
Show more names
(11S-(1AR*,11ALPHA,12BETA,12AALPHA))-12,12A-DIHYDRO-11H-BENZO[7,8]FLUORANTHENO[1,10B-B]OXIRENE-11,12 -DIOL(11S-(1AS*,11ALPHA,12BETA,12ABETA))-12,12A-DIHYDRO-11H-BENZO[7,8]FLUORANTHENO[1,10B-B]OXIRENE-11,12- DIOL
Database identifiers
- CAS
151378-31-3、151378-32-4- PubChem CID
- 198784
- DTXSID
DTXSID70934247
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 521
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…