Drupacine

Catalog Number	ACM49686579
CAS Number	49686-57-9
Structure
Molecular Weight	331.4
InChI	InChI=1S/C18H21NO5/c1-21-18-8-17-3-2-4-19(17)7-14(24-18)10-5-12-13(23-9-22-12)6-11(10)15(17)16(18)20/h5-6,14-16,20H,2-4,7-9H2,1H3/t14-,15+,16-,17-,18+/m0/s1
InChI Key	KYTDBKDWDOVRLJ-FLXSYLCISA-N
Purity	95%+
Complexity	560
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	331.14197277
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	CO[C@]12C[C@]34CCCN3C[C@H](O1)C5=CC6=C(C=C5[C@@H]4[C@@H]2O)OCO6
Monoisotopic Mass	331.14197277
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	60.4 Ų

Custom Q&A

What is the chemical formula of Drupacine?

The chemical formula of Drupacine is C18H21NO5.

What is the molecular weight of Drupacine?

The molecular weight of Drupacine is 331.37 g/mol.

What is the melting point of Drupacine?

The melting point of Drupacine is 70-2°C.

What is the predicted boiling point of Drupacine?

The predicted boiling point of Drupacine is 499.4±45.0 °C.

What is the predicted density of Drupacine?

The predicted density of Drupacine is 1.48±0.1 g/cm3.

What is the predicted pKa of Drupacine?

The predicted pKa of Drupacine is 13.18±0.40.

Where is Drupacine isolated from?

Drupacine is isolated from Cephalotaxus harringtonia.

What is the specific rotation of Drupacine?

The specific rotation of Drupacine is [α]26D-137° (c 0.79, CHC13).

In what type of solvent does Drupacine give an ultraviolet spectrum?

Drupacine gives an ultraviolet spectrum in EtOH.

What is the reference source for information on Drupacine?

The reference source for information on Drupacine is Powell et al., 1. Org. Chern., 39, 676 (1974).

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