Delbonine

Catalog Number	ACM95066334
CAS Number	95066-33-4
Synonyms	14-O-Acetyldeltatsine
IUPAC Name	[11-ethyl-9,16-dihydroxy-6,8,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Molecular Weight	509.64
Molecular Formula	C27H43NO8
Canonical SMILES	CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC(=O)C)OC)OC)O)OC)O)COC
InChI	InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(30)26-16-10-15-17(33-4)11-25(35-6,19(16)20(15)36-14(2)29)27(31,23(26)28)22(34-5)21(24)26/h15-23,30-31H,7-13H2,1-6H3
InChI Key	UTQKGBDSCRMUJO-UHFFFAOYSA-N
Boiling Point	588.9±50.0 °C
Purity	98%
Density	1.29±0.1 g/ml
Appearance	Solid
Complexity	918
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	509.29886733
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Monoisotopic Mass	509.29886733
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	107 Ų

Custom Q&A

What is the chemical formula for Delbonine?

The chemical formula for Delbonine is C27H43NO8.

What is the molecular weight of Delbonine?

The molecular weight of Delbonine is 509.64 g/mol.

What are the synonyms for Delbonine?

The synonyms for Delbonine include Aconitane-1,7,14-triol, 20-ethyl-6,8,16-trimethoxy-4-(methoxymethyl)-, 14-acetate, (1α,6β,14α,16β)-; 14-O-Acetyldeltatsine/Delbonine; 14-O-Acetyldeltatsine.

What is the CAS number for Delbonine?

The CAS number for Delbonine is 95066-33-4.

What is the predicted boiling point of Delbonine?

The predicted boiling point of Delbonine is 588.9±50.0 °C.

What is the predicted density of Delbonine?

The predicted density of Delbonine is 1.29±0.1 g/cm3.

What is the predicted pKa value of Delbonine?

The predicted pKa value of Delbonine is 12.15±0.70.

How many methoxy groups are present in the chemical structure of Delbonine?

Delbonine contains six methoxy groups in its chemical structure.

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