5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-pent-3-enyl]naphthalene-1,4-dione

Catalog	BBC517895
CAS	517-89-5
Structure
Synonyms	Shikonine
IUPAC Name	5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione
Molecular Weight	288.3
Molecular Formula	C16H16O5
Canonical SMILES	CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
InChI	InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
InChI Key	NEZONWMXZKDMKF-SNVBAGLBSA-N
Boiling Point	567.4±50.0 °C
Melting Point	148 °C
Purity	98%
Density	1.373±0.06 g/ml
Appearance	Purple powder
pKa	7.34±0.20