Acetoxyvalerenic Acid

Chemical Properties

Boiling point	427.0±45.0 °C(Predicted)
Density	1.13±0.1 g/cm3(Predicted)
storage temp.	2-8°C
solubility	Chloroform: sparingly; Ethanol: very slightly, sonicated; Methanol: slightly
form	solid
pka	4.88±0.19(Predicted)
Major Application	metabolomics vitamins, nutraceuticals, and natural products
InChI	1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1
InChIKey	VBBXZFLAYWAXSK-HYJCDKNOSA-N
SMILES	O([C@H]1[C@@H]2[C@@H](CC[C@H](C2=C(C1)C)\C=C(/C)\C(=O)O)C)C(=O)C

WGK Germany	3
Storage Class	11 - Combustible Solids

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