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PRELACTONE-B;(4R,5S,6R)-TETRAHYDRO-4-HYDROXY-6-ISOPROPYL-5-METHYL-2H-PYRAN-2-ONE
SpectraBase Compound ID 4z7z8rePuGI
InChI InChI=1S/C9H16O3/c1-5(2)9-6(3)7(10)4-8(11)12-9/h5-7,9-10H,4H2,1-3H3/t6-,7+,9+/m0/s1
InChIKey GZGROEXVPWSNDV-LKEWCRSYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Is8Y42l1SR
Name Prelactone B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-5(2)9-6(3)7(10)4-8(11)12-9/h5-7,9-10H,4H2,1-3H3/t6-,7+,9+/m0/s1
InChIKey GZGROEXVPWSNDV-LKEWCRSYSA-N
Molecular Weight 172.224 g/mol
SMILES O[C@@]1(CC(O[C@@]([C@]1(C)[H])(C(C)C)[H])=O)[H]
SPLASH splash10-06vr-7900000000-c39ec6f12da0eca41742
Source of Spectrum H-76-156-8
Synonyms (+)-Prelactone B (4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yl-2-oxanone (4R,5S,6R)-4-hydroxy-6-isopropyl-5-methyl-tetrahydropyran-2-one (4R,5S,6R)-4-hydroxy-5-methyl-6-propan-2-yloxan-2-one (4R,5S,6R)-5-methyl-4-oxidanyl-6-propan-2-yl-oxan-2-one
Wiley ID 1168801