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SARMENTOL_D
SpectraBase Compound ID K0fiQmQrBhm
InChI InChI=1S/C13H24O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h9,11-12,14,16H,4-8H2,1-3H3/t9-,11+,12+/m1/s1
InChIKey KOJRWPWXFNKOHI-USWWRNFRSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T660wsrGGY
Name 1-Hydroxy-4-((1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-cyclohexyl)-butan-2-one
Alternate Name(s) Sarmentol D 1-Hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]-2-butanone 1-Hydroxy-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one 1-Oxidanyl-4-[(1S,4S,6R)-2,2,6-trimethyl-4-oxidanyl-cyclohexyl]butan-2-one
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Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h9,11-12,14,16H,4-8H2,1-3H3/t9-,11+,12+/m1/s1
InChIKey KOJRWPWXFNKOHI-USWWRNFRSA-N
Molecular Weight 228.332 g/mol
SMILES O[C@@]1(CC([C@@](CCC(CO)=O)([C@@](C1)(C)[H])[H])(C)C)[H]
SPLASH splash10-03fs-0900000000-a25a02b7b1cd7c0a05f4
Source of Spectrum G4-70-582-8a
Wiley ID 1694735