1-Phenanthrenecarboxamide, N-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, [1S-(1I+/-,4aI+/-,10aI(2))]-
Basic information
- CAS
19542-69-9- Standard SMILES
COc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NOC(C)=O)[C@@H]1CC2- InChIKey
VGEVGGQFZPFDCS-RLLQIKCJSA-N- Molecular formula
- C20H27NO4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.19400834
Names & identifiers
- Preferred name
- 1-Phenanthrenecarboxamide, N-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, [1S-(1I+/-,4aI+/-,10aI(2))]-
- IUPAC
- [[(1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]amino] acetate
Names & synonyms
DTXSID8011061341-Phenanthrenecarboxamide, N-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-, [1S-(1I+/-,4aI+/-,10aI(2))]-19542-69-9
Database identifiers
- CAS
19542-69-9- PubChem CID
- 165367182
- DTXSID
DTXSID801106134
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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