Crobarbatine

Catalog Number	ACM49679234
CAS Number	49679-23-4
Synonyms	(13S)-12-Hydroxy-14-deethylidenecrotalanan-11,15-dione
Molecular Weight	295.33
InChI	InChI=1S/C15H21NO5/c1-9-7-12(17)21-11-4-6-16-5-3-10(13(11)16)8-20-14(18)15(9,2)19/h3,9,11,13,19H,4-8H2,1-2H3/t9-,11+,13+,15+/m0/s1
InChI Key	GCZHGOLJMYRJHB-AGNJHWRGSA-N
Purity	95%+
Complexity	502
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	295.14197277
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@H]1CC(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O
Monoisotopic Mass	295.14197277
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the chemical name of Crobarbatine?

The chemical name of Crobarbatine is (13S)-12-Hydroxy-14-deethylidenecrotalanan-11,15-dione.

What are some synonyms for Crobarbatine?

Some synonyms for Crobarbatine are Crobarbatine and 2H-[1,6]Dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione.

What is the CAS number of Crobarbatine?

The CAS number of Crobarbatine is 49679-23-4.

What is the molecular formula of Crobarbatine?

The molecular formula of Crobarbatine is C15H21NO5.

What is the molecular weight of Crobarbatine?

The molecular weight of Crobarbatine is 295.33.

What is the predicted boiling point of Crobarbatine?

The predicted boiling point of Crobarbatine is 534.4±50.0 °C.

What is the predicted density of Crobarbatine?

The predicted density of Crobarbatine is 1.31±0.1 g/cm3.

What is the predicted pKa of Crobarbatine?

The predicted pKa of Crobarbatine is 12.68±0.40.

How is Crobarbatine commonly used in chemical studies?

Crobarbatine is commonly used as a reference compound in chemical studies for its unique chemical properties and structure.

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