Guattegaumerine

Catalog Number	ACM21446355
CAS Number	21446-35-5
Synonyms	7,7'-Demethyldauricine
Molecular Weight	596.7
InChI	InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1
InChI Key	FDABVSXGAMFQQH-LOYHVIPDSA-N
Purity	90%+
Complexity	902
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	596.288637
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isomeric SMILES	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)O)O)O)OC
Monoisotopic Mass	596.288637
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	94.9 Ų

Custom Q&A

What is the product name of the chemical with the CAS number 21446-35-5?

The product name is guatteguamerine.

What are the synonyms for guatteguamerine?

The synonyms for guatteguamerine are guatteguamerine, guattegaumerine, and 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-.

What is the chemical formula of guatteguamerine?

The chemical formula is C36H40N2O6.

What is the molecular weight of guatteguamerine?

The molecular weight is 596.71.

Predicted boiling point of guatteguamerine?

The predicted boiling point is 738.3±60.0 °C.

Predicted density of guatteguamerine?

The predicted density is 1.254±0.06 g/cm3.

Predicted pka of guatteguamerine?

The predicted pka is 9.31±0.45.

According to ChEBI, what is guatteguamerine defined as?

It is defined as an aromatic ether resulting from oxidative dimerization between the 4-hydroxy group of one molecule of (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol and the 3-position of the 4-hydroxybenzyl group of another molecule.

What is the functional group present in guatteguamerine?

The functional groups present in guatteguamerine are aromatic ether and hydroxyl groups.

How was guatteguamerine synthesized?

Guatteguamerine is synthesized through the oxidative dimerization process between specific molecular groups as mentioned in the ChEBI definition.

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