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Methyl 2-[(3S,4S,6R)-4,6-diethyl-6-[(E,4R)-4-(hydroxymethyl)hex-1-enyl]dioxan-3-yl]acetate
SpectraBase Compound ID 6Wqzy8sMvXe
InChI InChI=1S/C18H32O5/c1-5-14(13-19)9-8-10-18(7-3)12-15(6-2)16(22-23-18)11-17(20)21-4/h8,10,14-16,19H,5-7,9,11-13H2,1-4H3/b10-8+/t14-,15+,16+,18+/m1/s1
InChIKey XODCVWAUPVBXDL-WVZYQPROSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9EpgGIjwOs
Name Methyl 2-[(3S,4S,6R)-4,6-diethyl-6-[(E,4R)-4-(hydroxymethyl)hex-1-enyl]dioxan-3-yl]acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-5-14(13-19)9-8-10-18(7-3)12-15(6-2)16(22-23-18)11-17(20)21-4/h8,10,14-16,19H,5-7,9,11-13H2,1-4H3/b10-8+/t14-,15+,16+,18+/m1/s1
InChIKey XODCVWAUPVBXDL-WVZYQPROSA-N
Instrument Name Hewlett-Packard 5972A
Ionization Type EI
Literature Reference DOI 10.1021/np030021h
Molecular Weight 328.449 g/mol
Optical Rotation [a]D20 = -146.8 (c = 1.3, CHCl3)
SMILES OC[C@@](C\C=C\[C@]1(C[C@@]([C@@](OO1)(CC(OC)=O)[H])(CC)[H])CC)(CC)[H]
SPLASH splash10-0a4i-9100000000-982225012978a8ce4fea
Source of Spectrum G4-66-660-6
Wiley ID 1881405