Lauroscholtzine

CAT: 0926-CAA16944-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA16944-01Size:1 mg

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CAS Number

2169-44-0

MDL Number

MFCD01664545

Smiles

O (C) C1=C2C=3[C@] (CC=4C2=CC (OC) =C (O) C4) (N (C) CCC3C=C1OC) [H]

Molecular Formula

C20H23NO4

Molecular Weight

341.4 g/mol

Controlled

Chemical Information

N-Methyllaurotetanine

boldine 2-methyl ether has been reported in Aconitum sanyoense, Litsea glutinosa, and other organisms with data available.

CAS Number	2169-44-0
PubChem CID	16573
IUPAC Name	(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Molecular Formula	C20H23NO4
Molecular Weight	341.4
XLogP	3
Topological Polar Surface Area	51.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	475

SMILES

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)OC

InChI

InChI=1S/C20H23NO4/c1-21-6-5-11-9-17(24-3)20(25-4)19-13-10-16(23-2)15(22)8-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1

InChIKey

ZFLRVRLYWHNAEC-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 2169-44-0

CID: 16573

Formula: C20H23NO4

MW: 341.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.4
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	341.16270821
Monoisotopic Mass	341.16270821
Topological Polar Surface Area	51.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	475
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TBW00417	Lauroscholtzine