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(1R,3S,4R,5S,10R,11R)-1-Acetyloxy-7-oxoprenops-8-ene
SpectraBase Compound ID GrBD3TbynpJ
InChI InChI=1S/C17H24O3/c1-9-8-12(20-10(2)18)14-13-11(9)6-7-17(14,5)15(19)16(13,3)4/h6-7,9,11-14H,8H2,1-5H3/t9-,11-,12+,13-,14+,17+/m0/s1
InChIKey WKNXSJLZTVTIGD-AZWDGCGLSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84fF0hUenYk
Name (1R,3S,4R,5S,10R,11R)-1-Acetyloxy-7-oxoprenops-8-ene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-9-8-12(20-10(2)18)14-13-11(9)6-7-17(14,5)15(19)16(13,3)4/h6-7,9,11-14H,8H2,1-5H3/t9-,11-,12+,13-,14+,17+/m0/s1
InChIKey WKNXSJLZTVTIGD-AZWDGCGLSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 276.376 g/mol
Optical Rotation [a]D = -150 (589 nm), -150 (578 nm), -186 (546 nm), -429 (436 nm), -1036 (365 nm) (c = 0.01, CHCl3)
Reported Formula C17H24O3
SMILES [C@@]1(OC(=O)C)([C@@]2([H])[C@@]3(C)C=C[C@@]([C@@]2(C(C3=O)(C)C)[H])([H])[C@@](C)(C1)[H])[H]
SPLASH splash10-0002-1900000000-ec8141a3be02c5b6ee00
Source of Spectrum G4-65-1410-8
Wiley ID 1883404