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XTQKCVAXPOCYKT-XEGUGMAKSA-N
SpectraBase Compound ID 821ThQiTD2p
InChI InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,13,17H,4-8H2,1-3H3/t10-,13-,15-/m0/s1
InChIKey XTQKCVAXPOCYKT-XEGUGMAKSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOZDI8uTmfM
Name Epivaldivolide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,13,17H,4-8H2,1-3H3/t10-,13-,15-/m0/s1
InChIKey XTQKCVAXPOCYKT-XEGUGMAKSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]1(OC(C2=C1[C@@]1([C@@](C(C)(C)CCC1)([H])CC2)C)=O)[H]
SPLASH splash10-001i-0090000000-93c42eeef30973f9387b
Source of Spectrum G4-64-730-16
Synonyms 2-Hydroxy-2b,6,6-trimethyl-(decahydro)naphthaleno[1,2-c]furan-9-one (1S,5aS,9aS)-1-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one (1S,5aS,9aS)-1-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-3-one (1S,5aS,9aS)-6,6,9a-trimethyl-1-oxidanyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
Wiley ID 1608976