Carmichaenine E

Catalog Number	ACM2065228637
CAS Number	2065228-63-7
Molecular Weight	557.7
InChI	InChI=1S/C31H43NO8/c1-5-32-15-28(16-37-2)12-11-20(33)31-25(28)23(39-4)21(26(31)32)29(40-27(35)17-9-7-6-8-10-17)14-19(38-3)18-13-30(31,36)24(29)22(18)34/h6-10,18-26,33-34,36H,5,11-16H2,1-4H3/t18-,19+,20+,21,22+,23+,24-,25-,26-,28+,29+,30+,31-/m1/s1
InChI Key	XEZIAMZSYPGGSD-ZZNRCKNFSA-N
Purity	95%+
Complexity	1020
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Exact Mass	557.29886733
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H](C([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@]4([C@@H]5[C@H]6O)O)OC)OC(=O)C7=CC=CC=C7)OC)O)COC
Monoisotopic Mass	557.29886733
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	118 Ų

Custom Q&A

What is the product name of Carmichaenine E?

The product name of Carmichaenine E is Carmichaenine E.

What are some synonyms for Carmichaenine E?

Some synonyms for Carmichaenine E are Aconitane-1,8,10,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 8-benzoate.

What is the CAS number for Carmichaenine E?

The CAS number for Carmichaenine E is 2065228-63-7.

What is the molecular formula of Carmichaenine E?

The molecular formula of Carmichaenine E is C31H43NO8.

What is the molecular weight of Carmichaenine E?

The molecular weight of Carmichaenine E is 557.68.

What is the boiling point of Carmichaenine E?

The boiling point of Carmichaenine E is predicted to be 679.9±55.0 °C.

What is the density of Carmichaenine E?

The density of Carmichaenine E is predicted to be 1.35±0.1 g/cm3.

What is the pka value of Carmichaenine E?

The pka value of Carmichaenine E is predicted to be 12.62±0.70.

How does Carmichaenine E react under predicted conditions?

Carmichaenine E is predicted to have a boiling point of 679.9±55.0 °C, density of 1.35±0.1 g/cm3, and pka of 12.62±0.70.

What is the molecular structure of Carmichaenine E?

The molecular structure of Carmichaenine E is 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 8-benzoate.

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