Butyl 2-(4-((1R,2R,5R)-6,6-Dimethyl-4-oxobicyclo[3.1.1]- heptan-2-yl)-3,5-dihydroxyphenyl)-2-methylpropanoate

SpectraBase Compound ID	K7PeTmmZimx
InChI	InChI=1S/C23H32O5/c1-6-7-8-28-21(27)22(2,3)13-9-18(25)20(19(26)10-13)14-11-17(24)16-12-15(14)23(16,4)5/h9-10,14-16,25-26H,6-8,11-12H2,1-5H3/t14-,15-,16+/m1/s1
InChIKey	TTZLRODBFFRDJS-OAGGEKHMSA-N Google Search
Mol Weight	388.5 g/mol
Molecular Formula	C23H32O5
Exact Mass	388.224974 g/mol

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SpectraBase Spectrum ID	r7aAqzdPGJ
Name	Butyl 2-(4-((1R,2R,5R)-6,6-Dimethyl-4-oxobicyclo[3.1.1]- heptan-2-yl)-3,5-dihydroxyphenyl)-2-methylpropanoate
Appearance	White crystalline solid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H32O5
InChI	InChI=1S/C23H32O5/c1-6-7-8-28-21(27)22(2,3)13-9-18(25)20(19(26)10-13)14-11-17(24)16-12-15(14)23(16,4)5/h9-10,14-16,25-26H,6-8,11-12H2,1-5H3/t14-,15-,16+/m1/s1
InChIKey	TTZLRODBFFRDJS-OAGGEKHMSA-N
Ionization Type	EI
Literature Reference DOI	10.1021/acs.jmedchem.6b00717
Molecular Weight	388.504 g/mol
SMILES	Oc1cc(cc(c1[C@]1([C@]2(C[C@@](C(C1)=O)(C2(C)C)[H])[H])[H])O)C(C(OCCCC)=O)(C)C
SPLASH	splash10-001i-9135000000-ed0f7ed110c698aeb1d4
Source of Spectrum	AF-59-6914-15
Thin-Layer Chromatography	Rf = 0.4 (diethyl ether/hexane, 40:60)
Wiley ID	1848859