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ANGUSTANOIC_ACID-D
SpectraBase Compound ID AmBT1Y7inCt
InChI InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1
InChIKey FPDDUPUDFYVZHW-QOOKETHRSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFuuxKe3Rjz
Name Angustanoic acid D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-16(2,23)19-10-11-20(25-24-19)13(12-19)6-7-14-17(3,15(21)22)8-5-9-18(14,20)4/h12,14,23H,5-11H2,1-4H3,(H,21,22)/t14-,17-,18-,19-,20+/m0/s1
InChIKey FPDDUPUDFYVZHW-QOOKETHRSA-N
Molecular Weight 350.455 g/mol
SMILES OC([C@@]1([C@]2([C@@]([C@]34CC[C@@](C(O)(C)C)(C=C4CC2)OO3)(CCC1)C)[H])C)=O
SPLASH splash10-00dj-0593000000-df1696aeee664a0be312
Source of Spectrum G4-61-911-7
Synonyms (1R,2S,6S,7R,12S)-12-(1-hydroxy-1-methylethyl)-2,6-dimethyl-13,14-dioxatetracyclo[10.2.2.0(1,10).0(2,7)]hexadec-10-ene-6-carboxylic acid
Wiley ID 1607338