Desacetyldoronine

Catalog Number	ACM120481778
CAS Number	120481-77-8
Structure
Molecular Weight	417.9
InChI	InChI=1S/C19H28ClNO7/c1-11-9-19(26,12(2)20)17(24)28-14-6-8-21(4)7-5-13(15(14)22)10-27-16(23)18(11,3)25/h5,11-12,14,25-26H,6-10H2,1-4H3/b13-5-/t11-,12,14-,18-,19-/m1/s1
InChI Key	OMHSMPLRLNEBIB-DZUVZQJCSA-N
Purity	95%+
Complexity	681
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	417.1554299
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[C@@H]1C[C@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C)(C(C)Cl)O
Monoisotopic Mass	417.1554299
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	113 Ų

Custom Q&A

What is the chemical name of Desacetyldoronine?

The chemical name of Desacetyldoronine is 2,9-Dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione, 4-[(1R)-1-chloroethyl]-4,7-dihydroxy-6,7,14-trimethyl-, (1R,4S,6R,7R)-.

What is the CAS number for Desacetyldoronine?

The CAS number for Desacetyldoronine is 120481-77-8.

What is the molecular formula of Desacetyldoronine?

The molecular formula of Desacetyldoronine is C19H28ClNO7.

What is the molecular weight of Desacetyldoronine?

The molecular weight of Desacetyldoronine is 417.88 g/mol.

What is the boiling point of Desacetyldoronine?

The boiling point of Desacetyldoronine is predicted to be 631.1±55.0 °C.

What is the density of Desacetyldoronine?

The density of Desacetyldoronine is predicted to be 1.32±0.1 g/cm3.

What is the pka value of Desacetyldoronine?

The pka value of Desacetyldoronine is predicted to be 11.49±0.60.

What are some synonyms for Desacetyldoronine?

Some synonyms for Desacetyldoronine include Desacetyldoronine and 2,9-Dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione, 4-[(1R)-1-chloroethyl]-4,7-dihydroxy-6,7,14-trimethyl-, (1R,4S,6R,7R)-.

How many hydroxy groups does Desacetyldoronine have?

Desacetyldoronine has two hydroxy groups.

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