Thalibealine

Catalog Number	ACM351531390
CAS Number	351531-39-0
IUPAC Name	(13aR)-2,3,10,11-Tetramethoxy-12-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular Weight	724.8
Molecular Formula	C42H48N2O9
Canonical SMILES	CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C6CC7C8=CC(=C(C=C8CCN7CC6=CC(=C5OC)OC)OC)OC
InChI	InChI=1S/C42H48N2O9/c1-43-12-11-25-36-30(43)14-23-16-34(33(47-4)20-27(23)37(36)41(51-8)42(52-9)38(25)49-6)53-39-28-18-29-26-19-32(46-3)31(45-2)15-22(26)10-13-44(29)21-24(28)17-35(48-5)40(39)50-7/h15-17,19-20,29-30H,10-14,18,21H2,1-9H3/t29-,30?/m1/s1
InChI Key	AFLFUXQTWZZMDX-IDCGIGBZSA-N
Purity	97%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	1220
Exact Mass	724.33598111
Heavy Atom Count	53
Isomeric SMILES	CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=C6C[C@@H]7C8=CC(=C(C=C8CCN7CC6=CC(=C5OC)OC)OC)OC
Monoisotopic Mass	724.33598111
Topological Polar Surface Area	89.6Ų

Custom Q&A

What is the chemical formula for thalibealine?

The chemical formula for thalibealine is C42H48N2O9.

What is the molecular weight of thalibealine?

The molecular weight of thalibealine is 724.84.

What is the CAS number for thalibealine?

The CAS number for thalibealine is 351531-39-0.

What are some synonyms for thalibealine?

Some synonyms for thalibealine are 6H-Dibenzo[a,g]quinolizine and 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-12-[(5,6,6a,7-tetrahydro-1,2,3,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolin-9-yl)oxy]-, (13aR)-.

What is the predicted boiling point of thalibealine?

The predicted boiling point of thalibealine is 781.8±60.0 °C.

What is the predicted density of thalibealine?

The predicted density of thalibealine is 1.33±0.1 g/cm3.

What is the predicted pka value of thalibealine?

The predicted pka value of thalibealine is 6.11±0.20.

How many oxygen atoms are present in the molecular formula of thalibealine?

There are 9 oxygen atoms present in the molecular formula of thalibealine.

What is the predicted boiling point range of thalibealine?

The predicted boiling point range of thalibealine is 721.8 °C to 841.8 °C.

What functional groups are present in the structure of thalibealine?

Thalibealine contains methoxy groups, a cyclohexane ring, a quinolin-9-yl group, and an oxy group in its structure.

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