16-Oxoprometaphanine

Catalog Number	ACM58738311
CAS Number	58738-31-1
Synonyms	Hasubanan-16-one, 6,7-didehydro-8,10-epoxy-8-hydroxy-3,4,7-trimethoxy-17-methyl-, (8β,10β)- (9CI)
IUPAC Name	(1R,8S,10S)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene-11,16-dione
Molecular Weight	373.4
Molecular Formula	C20H23NO6
Canonical SMILES	CN1C(=O)C[C@@]23[C@@]1(C[C@@H](C4=C2C(=C(C=C4)OC)OC)O)C(=O)C(=CC3)OC
InChI	InChI=1S/C20H23NO6/c1-21-15(23)10-19-8-7-14(26-3)18(24)20(19,21)9-12(22)11-5-6-13(25-2)17(27-4)16(11)19/h5-7,12,22H,8-10H2,1-4H3/t12-,19+,20+/m0/s1
InChI Key	ZLACZJGCNXVIAX-NXXCRTJYSA-N
Boiling Point	616.4±55.0 °C
Purity	98%
Density	1.42±0.1 g/ml
Appearance	Solid
Complexity	692
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	373.15253745
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	CN1C(=O)C[C@@]23[C@@]1(C[C@@H](C4=C2C(=C(C=C4)OC)OC)O)C(=O)C(=CC3)OC
Monoisotopic Mass	373.15253745
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	85.3 Ų

Custom Q&A

What is the product name of the compound with CAS number 58738-31-1?

The product name is 16-Oxoprometaphanine.

What are some synonyms of 16-Oxoprometaphanine?

Some synonyms are Hasubanan-16-one, 6,7-didehydro-8,10-epoxy-8-hydroxy-3,4,7-trimethoxy-17-methyl-, (8β,10β)- (9CI).

What is the molecular formula of 16-Oxoprometaphanine?

The molecular formula is C20H23NO6.

What is the molecular weight of 16-Oxoprometaphanine?

The molecular weight is 373.4.

What is the boiling point of 16-Oxoprometaphanine?

The boiling point is predicted to be 616.4±55.0 °C.

In what types of solvents is 16-Oxoprometaphanine soluble?

It is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the form of 16-Oxoprometaphanine?

It is in powder form.

What is the predicted pka value of 16-Oxoprometaphanine?

The predicted pka value is 10.91±0.40.

What are some common applications or uses of 16-Oxoprometaphanine?

The compound may have pharmaceutical or research applications due to its chemical properties.

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