Isotaxiresinol 9,9'-acetonide

Modify Date: 2025-08-22 08:31:48

Isotaxiresinol 9,9'-acetonide structure	Common Name	Isotaxiresinol 9,9'-acetonide
	CAS Number	252333-72-5	Molecular Weight	386.438
	Density	1.2±0.1 g/cm3	Boiling Point	570.3±50.0 °C at 760 mmHg
	Molecular Formula	C₂₂H₂₆O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	298.7±30.1 °C

Name	Isotaxiresinol 9,9'-acetonide
Synonym	More Synonyms

Density	1.2±0.1 g/cm3
Boiling Point	570.3±50.0 °C at 760 mmHg
Molecular Formula	C₂₂H₂₆O₆
Molecular Weight	386.438
Flash Point	298.7±30.1 °C
Exact Mass	386.172943
PSA	88.38000
LogP	2.15
Vapour Pressure	0.0±1.6 mmHg at 25°C
Index of Refraction	1.587
InChIKey	GACLBPGDLVRRRN-HTZUNMPGSA-N
SMILES	COc1cc2c(cc1O)C(c1ccc(O)c(O)c1)C1COC(C)(C)OCC1C2

Hazard Codes	Xi

1,2-Benzenediol, 4-[(5aR,6S,11aR)-1,5,5a,6,11,11a-hexahydro-8-hydroxy-9-methoxy-3,3-dimethylnaphtho[2,3-e][1,3]dioxepin-6-yl]-

4-[(5aR,6S,11aR)-8-Hydroxy-9-methoxy-3,3-dimethyl-1,5,5a,6,11,11a-hexahydronaphtho[2,3-e][1,3]dioxepin-6-yl]-1,2-benzenediol

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