15α-hydroxy-2β-[[2-O-isovaleryl-3,4α-di-O-sulpho-β-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid

Modify Date: 2025-08-26 08:06:54

15α-hydroxy-2β-[[2-O-isovaleryl-3,4α-di-O-sulpho-β-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid structure	Common Name	15α-hydroxy-2β-[[2-O-isovaleryl-3,4α-di-O-sulpho-β-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid
	CAS Number	1398-13-6	Molecular Weight	726.80700
	Density	1.52g/cm3	Boiling Point	N/A
	Molecular Formula	C₃₀H₄₆O₁₆S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	Atractylic Acid
Synonym	More Synonyms

Density	1.52g/cm3
Molecular Formula	C₃₀H₄₆O₁₆S₂
Molecular Weight	726.80700
Exact Mass	726.22300
PSA	266.48000
LogP	3.82860
Index of Refraction	1.607
InChIKey	FYQXODZRNSCOTR-ANFZLNLLSA-N
SMILES	C=C1C2CCC3C4(C)CC(OC5OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C5OC(=O)CC(C)C)CC(C(=O)O)C4CCC3(C2)C1O

Precursor 0
DownStream 4
CAS#:503-74-2 3-Methylbutanoi... CAS#:7664-93-9 Sulfuric acid CAS#:50-99-7 D-(+)-Glucose CAS#:10391-47-6 (4α)-2β,15α-dih...

atractyloside

atractylate

EINECS 215-743-8

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