Acoforestinine

Catalog Number	ACM110011773-1
CAS Number	110011-77-3
Synonyms	8-O-Ethylyunaconitine
Molecular Weight	645.78
Molecular Formula	C35H51NO10
Canonical SMILES	CO[C@@H]1C23[C@@]4([H])[C@](COC)(CN(CC)C2C([C@]5(OCC)[C@]6([H])[C@@]3([H])C[C@](O)([C@@H](OC)C5)[C@@H]6OC(C7=CC=C(OC)C=C7)=O)[C@@H]4OC)[C@H](O)C1
InChI	InChI=1S/C35H51NO10/c1-8-36-17-32(18-40-3)22(37)14-23(42-5)35-21-15-33(39)24(43-6)16-34(45-9-2,26(29(35)36)27(44-7)28(32)35)25(21)30(33)46-31(38)19-10-12-20(41-4)13-11-19/h10-13,21-30,37,39H,8-9,14-18H2,1-7H3
InChI Key	YBCOIJNAMJAFSO-UHFFFAOYSA-N
Melting Point	99-101 °C
Purity	90%+
Complexity	1150
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	645.35129682
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	2
Monoisotopic Mass	645.35129682
PhysicalState	Powder
Rotatable Bond Count	12
Topological Polar Surface Area	125 Ų

Custom Q&A

What is the chemical formula for ACOFORESTININE?

The chemical formula for ACOFORESTININE is C35H51NO10.

What is the molecular weight of ACOFORESTININE?

The molecular weight of ACOFORESTININE is 645.78.

What is the CAS number for ACOFORESTININE?

The CAS number for ACOFORESTININE is 110011-77-3.

What are some synonyms for ACOFORESTININE?

Some synonyms for ACOFORESTININE include 8-O-Ethylyunaconitine and 8-ethoxylyunnaconitine.

What is the melting point of ACOFORESTININE?

The melting point of ACOFORESTININE is 99-101℃.

What is the predicted boiling point of ACOFORESTININE?

The predicted boiling point of ACOFORESTININE is 712.0±60.0 °C.

What is the density of ACOFORESTININE?

The density of ACOFORESTININE is 1.30.

What is the predicted pka of ACOFORESTININE?

The predicted pka of ACOFORESTININE is 12.82±0.70.

What is the full chemical name of ACOFORESTININE?

The full chemical name of ACOFORESTININE is 8-Ethoxy-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,13,14-triol 14-(4-methoxybenzoate).

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