2,16-Kauranediol 2-O-beta-D-allopyraside

Catalog	BBC474893077
CAS	474893-07-7
Synonyms	β-D-Allopyranoside, (2β)-16-hydroxykauran-2-yl
IUPAC Name	(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,9S,10S,13R,14S)-14-hydroxy-5,5,9,14-tetramethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol
Molecular Weight	468.63
Molecular Formula	C26H44O7
Canonical SMILES	C[C@]12CC(CC([C@@H]1CC[C@@]34[C@@H]2CC[C@H](C3)[C@@](C4)(C)O)(C)C)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O
InChI	InChI=1S/C26H44O7/c1-23(2)10-15(32-22-21(30)20(29)19(28)16(12-27)33-22)11-24(3)17(23)7-8-26-9-14(5-6-18(24)26)25(4,31)13-26/h14-22,27-31H,5-13H2,1-4H3/t14-,15?,16-,17+,18-,19-,20-,21-,22-,24+,25+,26-/m1/s1
InChI Key	YCCXOTBTLJGELG-QTINVTRPSA-N
Boiling Point	618.9±55.0 °C
Purity	98%
Density	1.27±0.1 g/ml
Appearance	Solid
pKa	12.92±0.70