barbaloin

About This Item

Molecular Formula	C₂₁H₂₂O₉
CAS Number	1415-73-2

FC-0945148

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Properties

Chemical Identifiers

IUPAC Name	(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
SMILES	C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
InChI Key	AFHJQYHRLPMKHU-OSYMLPPYSA-N
InChI	InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1

Physical Properties

Boiling Point	752.6±60.0 °C at 760 mmHg
Melting Point	148-149ºC
Flash Point	268.0±26.4 °C
Density	1.6±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

268.0±26.4 °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.