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(1'R,2R,5R,6R)-5-[1'-(Adamant-1"-yl)-1'-hydroxymethyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one

View entire compound with spectra: 1 MS (GC)

(1'R,2R,5R,6R)-5-[1'-(Adamant-1"-yl)-1'-hydroxymethyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
SpectraBase Compound ID 6zrpQjBjpXG
InChI InChI=1S/C20H32O4/c1-11-15(17(22)24-18(23-11)19(2,3)4)16(21)20-8-12-5-13(9-20)7-14(6-12)10-20/h11-16,18,21H,5-10H2,1-4H3/t11-,12-,13+,14-,15+,16-,18-,20-/m1/s1
InChIKey XSNHLTYLRLSTMM-RGQKHICOSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPftqZ06Caq
Name (1'R,2R,5R,6R)-5-[1'-(Adamant-1"-yl)-1'-hydroxymethyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-11-15(17(22)24-18(23-11)19(2,3)4)16(21)20-8-12-5-13(9-20)7-14(6-12)10-20/h11-16,18,21H,5-10H2,1-4H3/t11-,12-,13+,14-,15+,16-,18-,20-/m1/s1
InChIKey XSNHLTYLRLSTMM-RGQKHICOSA-N
Molecular Weight 336.472 g/mol
SMILES O[C@@](C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])([C@]1(C(O[C@@](O[C@@]1(C)[H])(C(C)(C)C)[H])=O)[H])[H]
SPLASH splash10-000i-6941000000-941129f2a15207c26358
Source of Spectrum H-76-469-5
Synonyms (1'R,2R,5R,6R)-5-[1'-(Adamant-1''-yl)-1'-hydroxymethyl]-2-(t-butyl)-6-methyl-1,3-dioxan-4-one (2R,5R,6R)-5-[(R)-1-adamantyl(hydroxy)methyl]-2-tert-butyl-6-methyl-1,3-dioxan-4-one
Wiley ID 1332581