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AE-641/02529057 is available in 1271 mg

Compound details
Formula:		C15 H20 O2
Weight:		232.32
Chiral info:		Not available
Name:		Isoalantolactone/Isohelenin
SMILES:		C=C1CCCC2(C)(CC3OC(=O)C(=C)C3(CC12))
InChI^TM:		InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h11-13H,1-2,4-8H2,3H3
InChIKey^TM:		CVUANYCQTOGILD-UHFFFAOYSA-N

Chemical properties calculations
LogP:	3.42	H-acceptors: 2
LogS:	-3.82
tPSA:	26.3 Å²	Rotatable bonds: 0

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Disclaimer: Predicted physical and biological properties, such as toxicity, mentioned on this website are indicative only and may not be relied upon in any way. Liability for damages of any kind resulting from reliance on these properties is expressly rejected.