Basic information
- CAS
7727-91-5- Standard SMILES
C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C- InChIKey
UVWOWJBPZRXVCO-FUWUEERMSA-N- Molecular formula
- C28H48N2O
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.37666416
Overview
Cyclovirobuxeine A has been reported in Buxus papillosa and Buxus sempervirens with data available.
Names & identifiers
- Preferred name
- Cyclovirobuxeine A
- IUPAC
- (1S,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol
Names & synonyms
Cyclovirobuxeine ANSC 6746197727-91-57-(Dimethylamino)-1-(1-(dimethylamino)ethyl)-3a,6,6,12a-tetramethyl-2,3,3a,3b,5a,6,7,8,9,11,12,12a-dodecahydro-1H-cyclopenta(a)cyclopropa(e)phenanthren-2-ol(1S,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-((1S)-1-(dimethylamino)ethyl)-7,7,12,16-tetramethylpentacyclo(9.7.0.01,3.03,8.012,16)octadec-9-en-14-ol(1S,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-15-[(1S)-1-(dimethylamino)ethyl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-olRefChem:130049NSC674619SCHEMBL2380888NSC-6746199, 3,20-bis(dimethylamino)-4,4,14-trimethyl- [3.beta.,5.alpha.,16.alpha.,20S]-
Database identifiers
- CAS
7727-91-5- PubChem CID
- 384607
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 788
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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