CAS 521-40-4 | [S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide | CAS Number 521-40-4

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521-40-4 | [S-(R,R)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide

CAS No: 521-40-4 Catalog No: AG00DJHK MDL No:

Product Description

Catalog Number:

AG00DJHK

Chemical Name:

[S-(R*,R*)]-6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-hydroxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)phthalide

CAS Number:

521-40-4

IUPAC Name:

(3S)-3-[(5R)-4-hydroxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-3H-2-benzofuran-1-one

InChI:

InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1

InChI Key:

LMGZCSKYOKDBES-AEFFLSMTSA-N

EC Number:

208-313-6

UNII:

M5V1K1QE3F

Properties

Complexity:

632

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

399.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

399.399g/mol

Monoisotopic Mass:

399.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Heterodimeric O-methyltransferases involved in the biosynthesis of noscapine in opium poppy.	The Plant journal : for cell and molecular biology 20180701
Comparative qualitative and quantitative determination of alkaloids in narcotic and condiment Papaver somniferum cultivars.	Journal of natural products 20050501