Echitoveniline

Catalog Number	ACM72855799
CAS Number	72855-79-9
Molecular Weight	548.6
InChI	InChI=1S/C31H36N2O7/c1-18(40-27(34)19-15-23(36-2)25(38-4)24(16-19)37-3)30-11-8-13-33-14-12-31(29(30)33)21-9-6-7-10-22(21)32-26(31)20(17-30)28(35)39-5/h6-7,9-10,15-16,18,29,32H,8,11-14,17H2,1-5H3/t18-,29+,30+,31+/m1/s1
InChI Key	YEMKFBSUDUKXBV-JZGDGXNWSA-N
Purity	95%+
Complexity	1020
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	548.25225149
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@H]([C@@]12CCCN3[C@@H]1[C@@]4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
Monoisotopic Mass	548.25225149
PhysicalState	Powder
Rotatable Bond Count	9
Topological Polar Surface Area	95.6 Ų

Custom Q&A

What is the chemical name of Echitoveniline?

The chemical name of Echitoveniline is Aspidospermidine-3-carboxylic acid, 2,3-didehydro-20-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (5α,12R,19α,20R)-.

What is the CAS number of Echitoveniline?

The CAS number of Echitoveniline is 72855-79-9.

What is the molecular formula of Echitoveniline?

The molecular formula of Echitoveniline is C31H36N2O7.

What is the molecular weight of Echitoveniline?

The molecular weight of Echitoveniline is 548.64.

What is the predicted boiling point of Echitoveniline?

The predicted boiling point of Echitoveniline is 641.2±55.0 °C.

What is the predicted density of Echitoveniline?

The predicted density of Echitoveniline is 1.32±0.1 g/cm3.

What is the predicted pKa of Echitoveniline?

The predicted pKa of Echitoveniline is 8.48±0.60.

What are some synonyms for Echitoveniline?

Some synonyms for Echitoveniline include Echitoveniline and Aspidospermidine-3-carboxylic acid, 2,3-didehydro-20-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (5α,12R,19α,20R)-.

How is the structure of Echitoveniline predicted to affect its boiling point and density?

The predicted structure of Echitoveniline likely contributes to its boiling point of 641.2±55.0 °C and density of 1.32±0.1 g/cm3.

What are some potential applications of Echitoveniline based on its chemical properties?

Based on its chemical properties, Echitoveniline may have potential applications in fields such as pharmaceuticals or organic chemistry.

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