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Demethylcephalotaxinone

CAT: 0931-TN3823Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3823Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51020-45-2
Target
Others
Related Pathways
Others
Bioactivity
Demethylcephalotaxinone is a natural product from Cephalotaxus fortunei.
Smiles
OC1=C2c3cc4OCOc4cc3CCN3CCC[C@]23CC1=O |c:1|
Molecular Formula
C17H17NO4
Molecular Weight
299.326
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Demethylcephalotaxinone

Demethylcephalotaxinone has been reported in Cephalotaxus harringtonia with data available.

CAS Number51020-45-2
PubChem CID315258
IUPAC Name3-hydroxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),2,13,15(19)-tetraen-4-one
Molecular FormulaC17H17NO4
Molecular Weight299.32
XLogP1.3
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity559
SMILES
C1CC23CC(=O)C(=C2C4=CC5=C(C=C4CCN3C1)OCO5)O
InChI
InChI=1S/C17H17NO4/c19-12-8-17-3-1-4-18(17)5-2-10-6-13-14(22-9-21-13)7-11(10)15(17)16(12)20/h6-7,20H,1-5,8-9H2
InChIKey
FDWVASNYLQYPMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Demethylcephalotaxinone
CAS: 51020-45-2
CID: 315258
Formula: C17H17NO4
MW: 299.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.32
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass299.11575802
Monoisotopic Mass299.11575802
Topological Polar Surface Area59 Ų
Heavy Atom Count22
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N3721Demethylcephalotaxinone

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