2,16,19-Kauranetriol 2-O-beta-D-allopyraside

Catalog	BBC195723387
CAS	195723-38-7
Synonyms	β-D-Allopyranoside, (2β,4α)-16,18-dihydroxykauran-2-yl
IUPAC Name	(2R,3R,4R,5S,6R)-2-[[(1S,4S,5R,7S,9S,10R,13R,14R)-14-hydroxy-5-(hydroxymethyl)-5,9,14-trimethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	484.63
Molecular Formula	C26H44O8
Canonical SMILES	C[C@]1(C[C@H](C[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@](C4)(C)O)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)CO
InChI	InChI=1S/C26H44O8/c1-23(13-28)9-15(33-22-21(31)20(30)19(29)16(11-27)34-22)10-24(2)17(23)6-7-26-8-14(4-5-18(24)26)25(3,32)12-26/h14-22,27-32H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,19-,20-,21-,22-,23+,24-,25-,26+/m1/s1
InChI Key	QCOICVPTIKZOPU-YCROVFPPSA-N
Boiling Point	659.6±55.0 °C
Purity	98%
Density	1.33±0.1 g/ml
Appearance	Solid
pKa	12.92±0.70