14-Dehydrodelcosine

Catalog Number	ACM1361188
CAS Number	1361-18-8
Synonyms	20-Ethyl-1α,7,8-trihydroxy-6β,16β-dimethoxy-4-(methoxymethyl)aconitan-14-one
Molecular Weight	451.6
InChI	InChI=1S/C24H37NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-16,18-20,26,28-29H,5-11H2,1-4H3
InChI Key	ZXVJFGOQJRGEPX-UHFFFAOYSA-N
Purity	95%+
Complexity	839
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	451.25700252
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Monoisotopic Mass	451.25700252
PhysicalState	Powder
Rotatable Bond Count	5
Topological Polar Surface Area	109 Ų

Custom Q&A

What is the chemical name of the compound with the CAS number 1361-18-8?

The chemical name is 20-Ethyl-1α,7,8-trihydroxy-6β,16β-dimethoxy-4-(methoxymethyl)aconitan-14-one.

What is another name for this compound?

Another name for this compound is 14-Dehydrodelcosine.

What is the molecular formula of 20-Ethyl-1α,7,8-trihydroxy-6β,16β-dimethoxy-4-(methoxymethyl)aconitan-14-one?

The molecular formula is C24H37NO7.

What is the molecular weight of this compound?

The molecular weight is 451.55308.

What is the boiling point of 20-Ethyl-1α,7,8-trihydroxy-6β,16β-dimethoxy-4-(methoxymethyl)aconitan-14-one?

The boiling point is predicted to be 593.6±50.0 °C.

What is the density of this compound?

The density is predicted to be 1.37±0.1 g/cm3.

What is the pka value of 20-Ethyl-1α,7,8-trihydroxy-6β,16β-dimethoxy-4-(methoxymethyl)aconitan-14-one?

The pka value is predicted to be 12.36±0.70.

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