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HELICASCOLIDE-B

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HELICASCOLIDE-B
SpectraBase Compound ID I021TbwTvX1
InChI InChI=1S/C12H20O3/c1-6-7(2)9-8(3)10(13)12(4,5)11(14)15-9/h6,8-10,13H,1-5H3/b7-6+/t8-,9-,10+/m0/s1
InChIKey TXJOTIFCEKOXSM-PUAHGDKPSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hCGDW6jkbE
Name (4R,5R,6R)-4-hydroxy-3,3,5-trimethyl-6-[(E)-1-methylprop-1-enyl]tetrahydropyran-2-one
Alternate Name(s) (4R,5R,6R)-6-[(E)-but-2-en-2-yl]-3,3,5-trimethyl-4-oxidanyl-oxan-2-one (4R,5R,6R)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyl-2-oxanone (4R,5R,6R)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-6-7(2)9-8(3)10(13)12(4,5)11(14)15-9/h6,8-10,13H,1-5H3/b7-6+/t8-,9-,10+/m0/s1
InChIKey TXJOTIFCEKOXSM-PUAHGDKPSA-N
Molecular Weight 212.289 g/mol
SMILES O[C@]1(C(C(O[C@]([C@@]1(C)[H])(\C(=C\C)C)[H])=O)(C)C)[H]
SPLASH splash10-0002-9500000000-45edb4e305f433711996
Source of Spectrum X2-52-259-2
Wiley ID 1603070