Ccris 2085
Basic information
- CAS
97170-07-5- Standard SMILES
Cc1cc2ccccc2c2ccc3c(c12)[C@H]1O[C@H]1[C@@H](O)[C@H]3O- InChIKey
ZSDQORKDUNMTQA-OKYOBFRVSA-N- Molecular formula
- C19H16O3
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.10994437
Names & identifiers
- Preferred name
- Ccris 2085
- IUPAC
- (3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Names & synonyms
97170-07-5CCRIS 2085syn-5-Methylchrysene-1,2-diol-3,4-epoxide(1alpha,2beta,2abeta,3abeta)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol(1-alpha,2-beta,2a-beta,3a-beta)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diolChryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1-alpha,2-beta,2a-beta,3a-beta)-DTXSID20914079syn-(+-)-trans-1,2,3,4-Tetrahydro-5-methylchrysene-1,2-diol-3,4-epoxide(3R,5S,6S,7S)-19-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol10-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol(7S,8S,8aS,9aR)-10-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diolSYN-(+/-)-TRANS-1,2,3,4-TETRAHYDRO-5-METHYLCHRYSENE-1,2-DIOL-3,4-EPOXIDE
Database identifiers
- CAS
97170-07-5- PubChem CID
- 57175
- DTXSID
DTXSID20914079
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 452
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…