Isosteviol

Catalog	BBC27975195
CAS	27975-19-5
Structure
Description	Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects.
Synonyms	(4α,8β,13β)-13--Methyl-16-oxo-17-norkauran-18-oic acid
IUPAC Name	(1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Weight	318.45
Molecular Formula	C20H30O3
Canonical SMILES	C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C
InChI	InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1
InChI Key	KFVUFODCZDRVSS-XGBBNYNSSA-N
Boiling Point	455.6±38.0 °C
Melting Point	228-232 °C
Purity	98%
Density	1.15±0.1 g/ml
Appearance	Powder
Storage	Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
pKa	4.69±0.60