Hernandezine

Catalog Number	ACM6681136
CAS Number	6681-13-6
Structure
Synonyms	(1S)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman
Molecular Weight	652.8
InChI	InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
InChI Key	FUZMQNZACIFDBL-KYJUHHDHSA-N
Melting Point	192-193 °C
Purity	95%+
Complexity	1030
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	652.31485175
Heavy Atom Count	48
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isomeric SMILES	CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC
Monoisotopic Mass	652.31485175
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	71.1 Ų

Custom Q&A

What is the molecular formula of Hernandezine?

The molecular formula of Hernandezine is C39H46N2O7.

What is the molecular weight of Hernandezine?

The molecular weight of Hernandezine is 654.79 g/mol.

How is the melting point of Hernandezine described?

The melting point of Hernandezine has been recorded as 156-157°C following recrystallization from EtOH.

What are some salts and derivatives of Hernandezine that have been described?

Some salts and derivatives of Hernandezine include the hydrochloride, hydrobromide, hydriodide, picrate, and methiodide.

What is the melting point of the hydrochloride derivative of Hernandezine?

The hydrochloride derivative of Hernandezine has a melting point of 229-230°C.

What is the major active constituent of Thalictrum Ranunculaceae?

Hernandezine is identified as a major active constituent of Thalictrum Ranunculaceae.

What is the activity of Hernandezine as an anticancer agent?

Hernandezine is a novel anticancer AMPK activator.

Who gave the structure of Hernandezine as a bisbenzylisoquinoline alkaloid?

The structure of Hernandezine as a bisbenzylisoquinoline alkaloid was given by Russian workers.

What is the reference for the synthesis of Hernandezine?

The reference for the synthesis of Hernandezine is Maekh, Yunusov, Khim. Prir. Soedin., 1, 188,294 (1965).

What is the melting point of the picrate derivative of Hernandezine?

The picrate derivative of Hernandezine has a melting point of 209-211°C.

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