12-O-Acetylrosmarinine

Catalog Number	ACM137760533
CAS Number	137760-53-3
Molecular Weight	395.4
InChI	InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3/b13-5-/t11-,14+,15-,16-,17-,20-/m1/s1
InChI Key	FUOIHFZKSQBMKK-XRKWPLKMSA-N
Purity	95%+
Complexity	690
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	395.19440226
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)OC(=O)C)(C)O)C
Monoisotopic Mass	395.19440226
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	102 Ų

Custom Q&A

What is the chemical formula for 12-O-Acetylrosmarinine?

The chemical formula for 12-O-Acetylrosmarinine is C20H29NO7.

What is the molecular weight of 12-O-Acetylrosmarinine?

The molecular weight of 12-O-Acetylrosmarinine is 395.44676.

What is the CAS number for 12-O-Acetylrosmarinine?

The CAS number for 12-O-Acetylrosmarinine is 137760-53-3.

What is the boiling point of 12-O-Acetylrosmarinine?

The boiling point of 12-O-Acetylrosmarinine is predicted to be 580.1±50.0 °C.

What is the predicted density of 12-O-Acetylrosmarinine?

The predicted density of 12-O-Acetylrosmarinine is 1.27±0.1 g/cm3.

What is the predicted pka value of 12-O-Acetylrosmarinine?

The predicted pka value of 12-O-Acetylrosmarinine is 12.76±0.60.

What is the synonym for 12-O-Acetylrosmarinine?

A synonym for 12-O-Acetylrosmarinine is Senecionan-11,16-dione, 2-(acetyloxy)-1,2-dihydro-12-hydroxy-, (1α,2α)- (9CI).

What is the chemical property of 12-O-Acetylrosmarinine related to boiling point?

The boiling point of 12-O-Acetylrosmarinine is predicted to be 580.1±50.0 °C.

How does the density of 12-O-Acetylrosmarinine compare to water?

The predicted density of 12-O-Acetylrosmarinine is 1.27±0.1 g/cm3, which is higher than the density of water (1 g/cm3).

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