Hirsutine

Catalog Number	ACM7729239
CAS Number	7729-23-9
Structure
Synonyms	(3β,16E)-16,17-Didehydro-17-methoxycorynan-16-carboxylic acid methyl ester
Molecular Weight	368.5
InChI	InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17-,20+/m0/s1
InChI Key	NMLUOJBSAYAYEM-AZQGJTAVSA-N
Melting Point	101 °C
Purity	98%+
Complexity	578
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	368.20999276
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC[C@H]1CN2CCC3=C([C@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=CC=CC=C34
Monoisotopic Mass	368.20999276
PhysicalState	Solid
Rotatable Bond Count	5
Topological Polar Surface Area	54.6 Ų

Custom Q&A

What is the chemical name of Hirsutine?

The chemical name of Hirsutine is (3β,16E)-16,17-Didehydro-17-methoxycorynan-16-carboxylic acid methyl ester.

What is the molecular formula of Hirsutine?

The molecular formula of Hirsutine is C22H28N2O3.

What is the molecular weight of Hirsutine?

The molecular weight of Hirsutine is 368.47.

What is the melting point of Hirsutine?

The melting point of Hirsutine is 101 °C.

In what type of solvent is Hirsutine soluble?

Hirsutine is soluble in DMSO (Dimethyl sulfoxide).

What is the predicted boiling point of Hirsutine?

The predicted boiling point of Hirsutine is 531.7±50.0 °C.

How should Hirsutine be stored?

Hirsutine should be stored at -20°C.

What is the predicted pKa value of Hirsutine?

The predicted pKa value of Hirsutine is 18.13±0.60.

What are some synonyms for Hirsutine?

Some synonyms for Hirsutine include HIRSUTINE, corynan-16-carboxylic acid, and Methyl (E)-2-[(2S,3R,12bR)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[3,2-h]quinolizin-2-yl]-3-methoxyprop-2-enoate.

What is the molecular structure of Hirsutine?

The molecular structure of Hirsutine is (E)-16,17-didehydro-17-methoxy-17,18-seco-3-beta-yohimban-16-carboxylic acid.

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