Thalmineline

Catalog Number	ACM28328009
CAS Number	28328-00-9
Structure
IUPAC Name	(1S)-1-[[2-[[(6aS)-1,2,3,10-Tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
Molecular Weight	742.85
Molecular Formula	C42H50N2O10
Canonical SMILES	CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C(=C7CCN6C)O)OC)OC)OC)OC
InChI	InChI=1S/C42H50N2O10/c1-43-13-11-24-27(20-35(49-6)40(51-8)38(24)45)28(43)16-23-18-31(46-3)33(48-5)21-30(23)54-34-17-22-15-29-36-25(12-14-44(29)2)39(50-7)42(53-10)41(52-9)37(36)26(22)19-32(34)47-4/h17-21,28-29,45H,11-16H2,1-10H3/t28-,29-/m0/s1
InChI Key	NKUARQOCOZDNAS-VMPREFPWSA-N
Purity	98%+
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	1200
Exact Mass	742.34654580
Heavy Atom Count	54
Isomeric SMILES	CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5C[C@H]6C7=CC(=C(C(=C7CCN6C)O)OC)OC)OC)OC
Monoisotopic Mass	742.34654580
Topological Polar Surface Area	110Ų

Custom Q&A

What is the chemical name of the compound with the CAS number 28328-00-9?

The chemical name of the compound is Thalmineline.

What is the molecular formula of Thalmineline?

The molecular formula of Thalmineline is C42H50N2O10.

What is the molecular weight of Thalmineline?

The molecular weight of Thalmineline is 742.85.

What is the melting point of Thalmineline?

The melting point of Thalmineline is 96-98°C.

How is Thalmineline obtained from the roots of Thalictrum minus var. elatum Koch?

Thalmineline is obtained through column chromatography of the alkaloidal extract from the roots of Thalictrum minus var. elatum Koch.

How is Thalmineline purified?

Thalmineline is purified by recrystallization from Et20-heptane, which gives colorless crystals with the melting point mentioned.

What is the specific rotation of Thalmineline in MeOH?

The specific rotation of Thalmineline is [α]24D +22° (c 0.9, MeOH).

What is the ultraviolet spectrum absorption of Thalmineline in EtOH?

The ultraviolet spectrum absorption of Thalmineline in EtOH consists of a single absorption maximum at 283 nm.

What type of compound is Thalmineline?

Thalmineline is a highly-substituted alkaloid.

What is the reference for the synthesis of Thalmineline?

The reference for the synthesis of Thalmineline is Reisch et al., Tetrahedron Lett., 2113(1970).

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