14-Benzoylneoline

Catalog Number	ACM99633053
CAS Number	99633-05-3
Synonyms	Neoline 14-benzoate
IUPAC Name	[11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Molecular Weight	541.68
Molecular Formula	C31H43NO7
Canonical SMILES	CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=CC=C7)OC)O)OC)O)COC
InChI	InChI=1S/C31H43NO7/c1-5-32-15-29(16-36-2)12-11-21(33)31-19-13-18-20(37-3)14-30(35,23(27(31)32)25(38-4)26(29)31)22(19)24(18)39-28(34)17-9-7-6-8-10-17/h6-10,18-27,33,35H,5,11-16H2,1-4H3
InChI Key	GDNPLILPTBDDEP-UHFFFAOYSA-N
Purity	98%
Density	1.44 g/ml
Appearance	Solid
Complexity	973
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	541.30395271
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Monoisotopic Mass	541.30395271
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	97.7 Ų

Custom Q&A

What is the chemical formula of 14-Benzoylneoline?

The chemical formula of 14-Benzoylneoline is C31H43NO7.

What are some synonyms for 14-Benzoylneoline?

Some synonyms for 14-Benzoylneoline are 14-O-Benzoylneoline, Neoline 14-benzoate, and Aconitane-1,8,14-triol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 14-benzoate.

What is the CAS number for 14-Benzoylneoline?

The CAS number for 14-Benzoylneoline is 99633-05-3.

What is the molecular weight of 14-Benzoylneoline?

The molecular weight of 14-Benzoylneoline is 541.67562.

What is the predicted boiling point of 14-Benzoylneoline?

The predicted boiling point of 14-Benzoylneoline is 652.0±55.0 °C.

What is the predicted density of 14-Benzoylneoline?

The predicted density of 14-Benzoylneoline is 1.31±0.1 g/cm3.

What is the pKa value of 14-Benzoylneoline?

The predicted pKa value of 14-Benzoylneoline is 13.03±0.70.

How many hydrogen atoms are present in the molecular formula of 14-Benzoylneoline?

There are 43 hydrogen atoms present in the molecular formula of 14-Benzoylneoline.

What functional group is present in the chemical structure of 14-Benzoylneoline?

The benzoyl group is present in the chemical structure of 14-Benzoylneoline.

What is the molar mass of 14-Benzoylneoline in grams/mol?

The molar mass of 14-Benzoylneoline is 541.67562 g/mol.

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