Thesinine

Catalog Number	ACM488028
CAS Number	488-02-8
Molecular Weight	287.35
InChI	InChI=1S/C17H21NO3/c19-15-6-3-13(4-7-15)5-8-17(20)21-12-14-9-11-18-10-1-2-16(14)18/h3-8,14,16,19H,1-2,9-12H2/b8-5+/t14-,16+/m0/s1
InChI Key	FQVNMXZPGWLUFZ-BNVCYRGBSA-N
Melting Point	38-40 °C
Purity	95%+
Complexity	388
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	287.15214353
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C1C[C@@H]2[C@@H](CCN2C1)COC(=O)/C=C/C3=CC=C(C=C3)O
Monoisotopic Mass	287.15214353
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	49.8 Ų

Custom Q&A

What is the chemical formula of Thesinine?

The chemical formula of Thesinine is C17H21NO3.

What is the molecular weight of Thesinine?

The molecular weight of Thesinine is 287.35.

What is the melting point of Thesinine?

The melting point of Thesinine is 38-40°C.

What is the predicted boiling point of Thesinine?

The predicted boiling point of Thesinine is 441.5±20.0 °C.

What is the predicted density of Thesinine?

The predicted density of Thesinine is 1.22±0.1 g/cm3.

What is the pKa of Thesinine?

The pKa of Thesinine is 9.68±0.26.

What is the name of the plant in which Thesinine occurs naturally?

Thesinine occurs naturally in Thesiurn rninkwizianurn.

What is the color of the crystals formed by Thesinine?

Thesinine forms colorless crystals.

How was the structure of Thesinine assigned?

The structure of Thesinine was assigned based on chemical analysis and spectroscopic evidence.

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