Isocrocandine

Catalog Number	ACM72903709
CAS Number	72903-70-9
Molecular Weight	311.37
InChI	InChI=1S/C16H25NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h9-13,20H,4-8H2,1-3H3/t9-,10+,11+,12-,13-,16+/m1/s1
InChI Key	HUXORIJETCKEAL-LBHFADQZSA-N
Purity	95%+
Complexity	481
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	311.1732729
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1C(=O)OC[C@@H]2CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C
Monoisotopic Mass	311.1732729
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the chemical formula of Isocrocandine?

The chemical formula of Isocrocandine is C16H25NO5.

What is the molecular weight of Isocrocandine?

The molecular weight of Isocrocandine is 311.37.

What is the boiling point of Isocrocandine?

The boiling point of Isocrocandine is predicted to be 525.8±50.0 °C.

What is the density of Isocrocandine?

The density of Isocrocandine is predicted to be 1.24±0.1 g/cm3.

What is the pKa value of Isocrocandine?

The pKa value of Isocrocandine is predicted to be 13.56±0.60.

From where has Isocrocandine been isolated?

Isocrocandine has been isolated from Crotaiaria candicans, a pyrrolizidine alkaloid.

Is Isocrocandine a natural product?

Yes, Isocrocandine is a natural product that occurs in Crotaiaria candicans.

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