Basic information
- CAS
49686-58-0- Standard SMILES
COC12CC34CCCN3CC(O1)c1cc3c(cc1C4C2OC(C)=O)OCO3- InChIKey
RYFVJIKKXVLJTR-UHFFFAOYSA-N- Molecular formula
- C20H23NO6
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.15253745
Names & identifiers
- Preferred name
- Cephalotaxine, 2,11-epoxy-1,2-dihydro-, acetate (ester), (2alpha,11alpha)-
- IUPAC
- (13-methoxy-5,7,21-trioxa-19-azahexacyclo[11.7.1.02,10.04,8.011,15.015,19]henicosa-2,4(8),9-trien-12-yl) acetate
- English name
- (1S,3aS)-1,2,3,5,6,8,9,14bβ-Octahydro-2β-methoxy-2α,9α-epoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1α-ol acetate
- Molecular formula
- C20H23NO6
- Molecular weight
- 373.4
Names & synonyms
49686-58-0Cephalotaxine, 2,11-epoxy-1,2-dihydro-, acetate (ester), (2.alpha.,11.alpha.)-RefChem:333615Cephalotaxine, 2,11-epoxy-1,2-dihydro-, acetate (ester), (2alpha,11alpha)-RYFVJIKKXVLJTR-UHFFFAOYSA-NDTXSID301164515O~3~-Acetyl-1,2-dihydro-2,11-epoxycephalotaxineCephalotaxine, 2,11-epoxy-1,2-dihydro-, acetate (ester), (2I+/-,11I+/-)-(1S,3aS)-1,2,3,5,6,8,9,14bbeta-Octahydro-2beta-methoxy-2alpha,9alpha-epoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1alpha-ol acetate2α,11α-Epoxy-1,2-dihydrocephalotaxine acetateCephalotaxine, 2,11-epoxy-1,2-dihydro-, acetate (ester), (2α,11α)- (9CI)(1S,3aS)-1,2,3,5,6,8,9,14bβ-Octahydro-2β-methoxy-2α,9α-epoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1α-ol acetate
Database identifiers
- CAS
49686-58-0- PubChem CID
- 628807
- DTXSID
DTXSID301164515
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Boiling point
- 483.9 · 483.9±45.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 5.94 · 5.94±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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