Sulfuric acid--3-methoxy-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (1/1)
Basic information
- CAS
53757-95-2- Standard SMILES
COc1ccc2c(c1)[C@H]1CC3CCC([C@H]1C2)[NH+]3C.O=S(=O)([O-])O- InChIKey
KXNJEWHEKVTDQO-HOTLZPRUSA-N- Molecular formula
- C16H23NO5S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.12969401
Names & identifiers
- Preferred name
- Sulfuric acid--3-methoxy-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (1/1)
- IUPAC
- hydrogen sulfate;(2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene
Names & synonyms
DTXSID50968520Sulfuric acid--3-methoxy-11-methyl-4b,5,6,7,8,9,9a,10-octahydro-6,9-epiminobenzo(a)azulene (1/1)RefChem:1099266DTXCID00139609453757-95-2Benz(a)azulen-6,9-imine, 4b,5,6,7,8,9,9a,10-octahydro-3-methoxy-11-methyl-, (4bS-(4b-alpha,6-beta,9-beta,9a-alpha))-, sulfate (1:1)
Database identifiers
- CAS
53757-95-2- PubChem CID
- 40866
Properties
Computed structural properties
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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