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Malyngolide seco-acid
SpectraBase Compound ID CXg0AwVUcqc
InChI InChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-11-16(20,13-17)12-10-14(2)15(18)19/h14,17,20H,3-13H2,1-2H3,(H,18,19)/t14-,16+/m1/s1
InChIKey CXPGERDAOAFZJT-ZBFHGGJFSA-N
Mol Weight 288.4 g/mol
Molecular Formula C16H32O4
Exact Mass 288.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzgVB2U10yv
Name Malyngolide seco-acid
Appearance White glassy solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O4
InChI InChI=1S/C16H32O4/c1-3-4-5-6-7-8-9-11-16(20,13-17)12-10-14(2)15(18)19/h14,17,20H,3-13H2,1-2H3,(H,18,19)/t14-,16+/m1/s1
InChIKey CXPGERDAOAFZJT-ZBFHGGJFSA-N
Instrument Name Finnigan LCQ Advantage Max
Ionization Type EI
Literature Reference DOI 10.1021/np9005184
Molecular Weight 288.428 g/mol
Optical Rotation [a]D25 = -7.9 (c = 0.3, CH2Cl2)
Reported Formula C16H32O4
SMILES OC([C@@](CC[C@@](CCCCCCCCC)(CO)O)(C)[H])=O
SPLASH splash10-0a4r-9450000000-36f0e30193f31f18bedf
Source of Spectrum G4-73-SM12-4
Wiley ID 1848953