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Acetylcephalotaxine

CAT: 0931-TN3341Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3341Size:5 mg
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CAS Number
24274-60-0
Target
Others
Related Pathways
Others
Bioactivity
Acetylcephalotaxine is a natural product of Cephalotaxus, Cephalotaxaceae. The catalog number is TN3341 and the CAS number is 24274-60-0. Acetylcephalotaxine can be used as a reference standard.
Smiles
COC1=C[C@]23CCCN2CCc2cc4OCOc4cc2[C@@H]3[C@@H]1OC(C)=O
Molecular Formula
C20H23NO5
Molecular Weight
357.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acetylcephalotaxine
CAS Number24274-60-0
PubChem CID285345
IUPAC Name(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
Molecular FormulaC20H23NO5
Molecular Weight357.4
XLogP0.8
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity621
SMILES
CC(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4
InChI
InChI=1S/C20H23NO5/c1-12(22)26-19-17(23-2)10-20-5-3-6-21(20)7-4-13-8-15-16(25-11-24-15)9-14(13)18(19)20/h8-10,18-19H,3-7,11H2,1-2H3
InChIKey
WZFZRXGNVSHCOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetylcephalotaxine
CAS: 24274-60-0
CID: 285345
Formula: C20H23NO5
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass357.15762283
Monoisotopic Mass357.15762283
Topological Polar Surface Area57.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
ZAA27460-01Acetylcephalotaxine

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