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(-) -α-Narcotinediol

CAT: 0024-sc-477692Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477692Size:10 mg
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CAS Number
23942-99-6

Chemical Information

alpha-Narcotinediol

Narcotinediol has been reported in Papaver orientale and Papaver pseudo-orientale with data available.

CAS Number23942-99-6
PubChem CID98447
IUPAC Name[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanol
Molecular FormulaC22H27NO7
Molecular Weight417.5
XLogP1.5
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CN1CCC2=CC3=C(C(=C2C1C(C4=C(C(=C(C=C4)OC)OC)CO)O)OC)OCO3
InChI
InChI=1S/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3
InChIKey
BHLLOBXLOWXZDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Narcotinediol
CAS: 23942-99-6
CID: 98447
Formula: C22H27NO7
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass417.17875220
Monoisotopic Mass417.17875220
Topological Polar Surface Area89.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
167193(-) -α-Narcotinediol
N378890(-)-Alpha-Narcotinediol

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