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4-Acetoxy-6-methyl-7-tert-butoxy-9-hydroxybicyclo[4.3.0]non-1-en-3-one isomer
SpectraBase Compound ID EkGmRHfpSxQ
InChI InChI=1S/C16H24O5/c1-9(17)20-13-8-16(5)10(6-12(13)19)11(18)7-14(16)21-15(2,3)4/h6,11,13-14,18H,7-8H2,1-5H3/t11-,13+,14+,16+/m1/s1
InChIKey CZPIQAMYSDWMIN-DSRCVFDASA-N
Mol Weight 296.36 g/mol
Molecular Formula C16H24O5
Exact Mass 296.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0EgF40AmhR
Name 4-Acetoxy-6-methyl-7-tert-butoxy-9-hydroxybicyclo[4.3.0]non-1-en-3-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O5
InChI InChI=1S/C16H24O5/c1-9(17)20-13-8-16(5)10(6-12(13)19)11(18)7-14(16)21-15(2,3)4/h6,11,13-14,18H,7-8H2,1-5H3/t11-,13+,14+,16+/m1/s1
InChIKey CZPIQAMYSDWMIN-DSRCVFDASA-N
Molecular Weight 296.363 g/mol
SMILES O[C@]1(C=2[C@@]([C@](C1)(OC(C)(C)C)[H])(C[C@](OC(=O)C)(C(C2)=O)[H])C)[H]
SPLASH splash10-0a4i-9720000000-38f7597be9f39be8f9ff
Source of Spectrum F-50-8419-63
Synonyms 3-tert-Butoxy-1-hydroxy-3a-methyl-6-oxo-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl acetate 4-Acetoxy-6-methyl-7-tert-butoxy-9-hydroxybicyclo[4.3.0]non-1-en-3-one Acetic acid (1R,3S,3aS,5S)-3-tert-butoxy-1-hydroxy-3a-methyl-6-oxo-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl ester
Wiley ID 1299045