WITHASTRAMONOLIDE, 12-DEOXY-(SH)

Chemical Properties

Boiling point	668.3±55.0 °C(Predicted)
Density	1.253
storage temp.	-20°C
solubility	DMF: 2 mg/ml; DMSO: 0.1 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS (pH 7.2)(1:2): 0.3 mg/ml
pka	13.04±0.70(Predicted)
form	Solid
color	White to off-white
InChIKey	AWVMHXZWAKRDGG-MEBIVHGNSA-N
SMILES	O1[C@H](CC(=C(C1=O)CO)C)[C@H]([C@@H]2[C@@]3([C@H]([C@@H]4[C@@H]5O[C@@H]5[C@@]6([C@@]([C@H]4CC3)(C(=O)C=CC6)C)O)CC2)C)C

WGK Germany	3
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1

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