Demethylcephalotaxinone

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0287
CAS
51020-45-2
Product Name
Demethylcephalotaxinone
Structure

Product Details

Description
Demethylcephalotaxinone is a natural alkaloid compound found in several plants.
Synonyms
Desmethylcephalotaxinone;(S)-1-hydroxy-5,6,8,9-tetrahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-2(3H)-one
IUPAC Name
3-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 Weight
299.32
Molecular Formula
C17H17NO4
Canonical 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
Boiling Point
517.8±50.0°C (Predicted)
Purity
>95%
Density
1.5±0.1 g/cm3
Appearance
Powder
Form
Powder
pKa
8.92±0.20(Predicted)
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