Doronenine

Catalog Number	ACM74217575
CAS Number	74217-57-5
Molecular Weight	335.4
InChI	InChI=1S/C18H25NO5/c1-11-8-12(2)18(3,22)17(21)23-10-13-4-6-19-7-5-14(16(13)19)24-15(20)9-11/h4,9,12,14,16,22H,5-8,10H2,1-3H3/b11-9+/t12-,14-,16-,18-/m1/s1
InChI Key	VDHBZYVHRJQOLV-JHKFPADBSA-N
Purity	95%+
Complexity	611
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	335.1732729
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1C/C(=C/C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)/C
Monoisotopic Mass	335.1732729
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the chemical formula for DORONENINE?

The chemical formula for DORONENINE is C18H25NO5.

What is the molecular weight of DORONENINE?

The molecular weight of DORONENINE is 335.39.

What is the CAS number for DORONENINE?

The CAS number for DORONENINE is 74217-57-5.

What are some synonyms for DORONENINE?

Some synonyms for DORONENINE are 2H-[1,6]Dioxacyclotridecino[2,3,4-gh]pyrrolizine-2,8(5H)-dione, 6,7,10,12,14,15,15a,15b-octahydro-7-hydroxy-4,6,7-trimethyl-, (3Z,6R,7R,15aR,15bR)-.

What is the predicted boiling point of DORONENINE?

The predicted boiling point of DORONENINE is 562.4±50.0 °C.

What is the predicted density of DORONENINE?

The predicted density of DORONENINE is 1.25±0.1 g/cm3.

What is the predicted pka value of DORONENINE?

The predicted pka value of DORONENINE is 12.75±0.60.

8 What are the structural features of DORONENINE?

DORONENINE has a complex structure with a cyclohexane ring and multiple methyl groups attached.

What additional information is available about the properties of DORONENINE?

The reference provides information on the boiling point, density, and predicted pka value of DORONENINE.

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