Andrographolide

About This Item

Molecular Formula	C₂₀H₃₀O₅
CAS Number	5508-58-7

FC-0970785

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Properties

Chemical Identifiers

IUPAC Name	(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
SMILES	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)O)(C)CO)O
InChI Key	BOJKULTULYSRAS-OTESTREVSA-N
InChI	InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15?,16?,17?,19+,20?/m1/s1

Physical Properties

Boiling Point	557.3±50.0 °C at 760 mmHg
Melting Point	229-232ºC
Flash Point	195.5±23.6 °C
Density	1.2±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

195.5±23.6 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.