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Cyclopenta-1,3-dioxin-4a(4H)-acetic acid, 2-(1,1-dimethylethyl)tetrahydro-.alpha.-hydroxy-.alpha.-methyl-, methyl ester, [2S-[2.alpha.,4a.beta.(R*),7a.beta.]]-
SpectraBase Compound ID CkiW8R0hNZ1
InChI InChI=1S/C15H24O6/c1-13(2,3)12-20-9-7-6-8-15(9,11(17)21-12)14(4,18)10(16)19-5/h9,12,18H,6-8H2,1-5H3/t9-,12-,14?,15-/m0/s1
InChIKey ZWTNWWLTCSIYBX-BENRJZIUSA-N
Mol Weight 300.35 g/mol
Molecular Formula C15H24O6
Exact Mass 300.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0DDQooKvXl
Name Cyclopenta-1,3-dioxin-4a(4H)-acetic acid, 2-(1,1-dimethylethyl)tetrahydro-.alpha.-hydroxy-.alpha.-methyl-, methyl ester, [2S-[2.alpha.,4a.beta.(R*),7a.beta.]]-
CAS Registry Number 124989-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O6
InChI InChI=1S/C15H24O6/c1-13(2,3)12-20-9-7-6-8-15(9,11(17)21-12)14(4,18)10(16)19-5/h9,12,18H,6-8H2,1-5H3/t9-,12-,14?,15-/m0/s1
InChIKey ZWTNWWLTCSIYBX-BENRJZIUSA-N
Molecular Weight 300.351 g/mol
SMILES OC([C@@]12C(O[C@](O[C@]2(CCC1)[H])(C(C)(C)C)[H])=O)(C(=O)OC)C
SPLASH splash10-03dl-8900000000-48061d38e3ddbf0c263b
Source of Spectrum H-72-704-5
Synonyms Methyl (2S)-2-((2S,4aR,7aS)-2-tert-butyl-4-oxotetrahydrocyclopenta[d][1,3]dioxin-4a(4H)-yl)-2-hydroxypropanoate Methyl (2S,4aR,7aS,1'.XI.)-2-(t-butyl)-4,4a,5,6,7,7a-hexahydro-.alpha.-hydroxy-.alpha.-methyl-4-oxocyclopenta[d]dioxin-4a-acetate
Wiley ID 1302637