For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(5S,7S,8S)-7,8-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one

View entire compound with spectra: 1 MS (GC)

(5S,7S,8S)-7,8-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one
SpectraBase Compound ID HQNpMQjyX9G
InChI InChI=1S/C16H22O5/c1-4-5-6-12-13(19)7-11-8-14(20-9(2)17)16(15(11)12)21-10(3)18/h11,14,16H,4-8H2,1-3H3/t11-,14+,16-/m1/s1
InChIKey RMMAETLIOCLCPB-DIOULYMOSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CzuVWokxCID
Name (5S,7S,8S)-7,8-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-4-5-6-12-13(19)7-11-8-14(20-9(2)17)16(15(11)12)21-10(3)18/h11,14,16H,4-8H2,1-3H3/t11-,14+,16-/m1/s1
InChIKey RMMAETLIOCLCPB-DIOULYMOSA-N
Molecular Weight 294.347 g/mol
SMILES C=12[C@@]([C@@](OC(=O)C)(C[C@]2(CC(C1CCCC)=O)[H])[H])(OC(=O)C)[H]
SPLASH splash10-01ox-7490000000-48343c3b45111ecb397b
Source of Spectrum KC-0-2912-11
Synonyms (1S,2S,3aS)-1-(acetyloxy)-6-butyl-5-oxo-1,2,3,3a,4,5-hexahydro-2-pentalenyl acetate (5S,7S,8S)-and (5R,7S,8S)-7,8-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one Acetic acid[(1S,2S,3aS)-1-acetoxy-6-butyl-5-keto-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]ester Acetic acid[(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]ester [(1S,2S,3aS)-1-acetoxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]acetate [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxidanylidene-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]ethanoate [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl]acetate Acetic acid [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ester [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate [(1S,2S,3aS)-1-acetoxy-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate [(1S,2S,3aS)-1-acetyloxy-6-butyl-5-oxidanylidene-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] ethanoate
Wiley ID 826374