Scandinone structure

Scandinone

3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one

Also Known As: Scandinone|Nallanin|6-methyl-7-oxabicyclo[4.1.0]heptan-2-ol|1-methyl-7-oxabicyclo[4.1.0]heptan-5-ol|3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one|4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-|4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-|3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:3,4-b ]dipyran-4-one|3-(4-Hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-4H,8H-pyrano[2,3-f]chromen-4-one #|3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-f]chromen-4-one|3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano(2,3-h)chromen-4-one|4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-buten-1-yl)-|4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-

CAS: 5233-97-6
Molecular Formula C26H26O5
Molecular Weight 418.178 g/mol
LogP 5.6
Topological Polar Surface Area 65.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 4
Exact Mass 418.178
Monoisotopic Mass 418.178
Heavy Atoms 31
Complexity 767.0

Chemical Identifiers

CAS Number 5233-97-6
SMILES CC(=CCC1=C2C(=C3C(=C1OC)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C
InChIKey OUZCFMSJGDEXRT-UHFFFAOYSA-N

Product Overview

Scandinone (CAS 5233-97-6), with molecular formula C26H26O5 and molecular weight 418.178 g/mol. IUPAC: 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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