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3.beta.-Hydroxy-2.alpha.-iodo-6-oxo-4-epibakkenolide-A
SpectraBase Compound ID 7Gp0X7xhheb
InChI InChI=1S/C15H19IO4/c1-7-6-20-13(19)15(7)5-9-4-10(16)11(17)8(2)14(9,3)12(15)18/h8-11,17H,1,4-6H2,2-3H3/t8-,9?,10+,11+,14+,15+/m0/s1
InChIKey LWMGVZALEHUVFL-SNJJHPLKSA-N
Mol Weight 390.22 g/mol
Molecular Formula C15H19IO4
Exact Mass 390.032804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYFupJuT13U
Name 3.beta.-Hydroxy-2.alpha.-iodo-6-oxo-4-epibakkenolide-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19IO4
InChI InChI=1S/C15H19IO4/c1-7-6-20-13(19)15(7)5-9-4-10(16)11(17)8(2)14(9,3)12(15)18/h8-11,17H,1,4-6H2,2-3H3/t8-,9?,10+,11+,14+,15+/m0/s1
InChIKey LWMGVZALEHUVFL-SNJJHPLKSA-N
Molecular Weight 390.217 g/mol
SMILES O[C@@]1([C@@]([C@]2(C([C@@]3(C(OCC3=C)=O)CC2C[C@]1(I)[H])=O)C)(C)[H])[H]
SPLASH splash10-08ml-4920000000-415a55920c6bbc729b4f
Source of Spectrum J-61-3812-33
Synonyms 3.beta.Hydroxy-2.alpha.-iodo-6-oxo-4,7-epibakkenolide-A 3.beta.Hydroxy-2.alpha.-iodo-6-oxo-7-epibakkenolide-A (2R,5R,6R,7R,7aS)-6-hydroxy-5-iodo-7,7a-dimethyl-4'-methylidene-octahydrospiro[indene-2,3'-oxolane]-1,2'-dione
Wiley ID 1364510