Acetylcephalotaxine
Basic information
- CAS
24274-60-0- Standard SMILES
COC1=CC23CCCN2CCc2cc4c(cc2C3C1OC(C)=O)OCO4- InChIKey
WZFZRXGNVSHCOI-UHFFFAOYSA-N- Molecular formula
- C20H23NO5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15762283
Names & identifiers
- Preferred name
- Acetylcephalotaxine
- IUPAC
- (4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) acetate
- English name
- Acetylcephalotaxine
- Molecular formula
- C20H23NO5
- Molecular weight
- 357.4
Names & synonyms
Acetylcephalotaxine24274-60-0CEPHALOTAXINE ACETATEO-AcetylcephalotaxineCephalotaxine, acetate (ester)NSC 142199RefChem:109121WZFZRXGNVSHCOI-UHFFFAOYSA-N(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) acetateO~3~-AcetylcephalotaxineSCHEMBL13059597DTXSID30947111
Show more names
4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-, 1-acetate, (1S,3aR,14bS)-
ZAA27460MFCD20260868NSC142199AKOS032948165NSC-142199[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0^{2,6.0^{6,10.0^{15,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] acetate
Database identifiers
- CAS
24274-60-0- PubChem CID
- 285345
- DTXSID
DTXSID30947111
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 621
Physicochemical properties
- Melting point
- 140 · 140-142 °C(Solvent: Diethyl ether)
- Boiling point
- 481.904 · 481.904±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Powder
- pka
- 6.711 · 6.711±0.60(predicted)
Chemistry & industry
Applications
OccurrenceCephalotaxusJortunei yields this minor alkaloid which crystallizes as colourless rods from EtOH.
UsesAcetylcephalotaxine is a Alkaloids product that can be isolated from the barks of Cephalotaxus fortunei[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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