(1R,5S,6R,7S)-7-HYDROXY-6-HYDROXYMETHYL-2-OXABICYCLO-[3.3.2]-OCTAN-3-ONE

SpectraBase Compound ID	CeyFOaSBxLW
InChI	InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKey	VYTZWRCSPHQSFX-GBNDHIKLSA-N Google Search
Mol Weight	172.18 g/mol
Molecular Formula	C8H12O4
Exact Mass	172.073559 g/mol

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SpectraBase Spectrum ID	KSh6lnSDms4
Name	(3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
Alternate Name(s)	(3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (3aR,4S,5R,6aS)-4-(hydroxymethyl)-5-oxidanyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C8H12O4
InChI	InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKey	VYTZWRCSPHQSFX-GBNDHIKLSA-N
Literature Reference DOI	10.1080/00397911.2013.851243
Molecular Weight	172.180 g/mol
SMILES	OC[C@@]1([C@]2(CC(O[C@]2(C[C@]1(O)[H])[H])=O)[H])[H]
SPLASH	splash10-0udi-9100000000-4f730608833ae9c60cef
Source of Spectrum	B1-44-1258/SM3-1
Wiley ID	1749723