(14R)-2β,3β-Epoxygrayanotoxane-5,6β,10,14,16-pentol 6-acetate

Chemical Properties

Melting point	294.5-296℃
Boiling point	569.4±50.0 °C(Predicted)
Density	1.36±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.	-20°C
form	Solid
pka	13.27±0.70(Predicted)
color	White to off-white
InChI	1S/C22H34O7/c1-10(23)28-13-8-21-9-19(4,25)11(16(21)24)6-7-12(21)20(5,26)15-14-17(29-14)18(2,3)22(13,15)27/h11-17,24-27H,6-9H2,1-5H3
InChIKey	FJISLLRXVSQIES-UHFFFAOYSA-N
SMILES	O=C(C)O[C@H](C[C@]1(C[C@@](C)(O)[C@@H]([C@@H]1O)CC2)[C@]2([H])[C@@]3(C)O)[C@@]4(O)[C@@]3([H])[C@H]5[C@H](O5)C4(C)C

WGK Germany	WGK 3
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 2 Dermal Acute Tox. 2 Oral

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