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(5S,6S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal

View entire compound with spectra: 2 MS (GC)

(5S,6S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal
SpectraBase Compound ID 8aUn402c8O
InChI InChI=1S/C16H28O4/c1-14(8-9-17)12-4-3-6-16(19-10-11-20-16)15(12,2)7-5-13(14)18/h12-13,17-18H,3-11H2,1-2H3/t12?,13?,14?,15-/m1/s1
InChIKey LQZGWWILXQTHJX-MLGYPOCJSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hep4sW9A2tz
Name (5S,6S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal
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Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-14(8-9-17)12-4-3-6-16(19-10-11-20-16)15(12,2)7-5-13(14)18/h12-13,17-18H,3-11H2,1-2H3/t12?,13?,14?,15-/m1/s1
InChIKey LQZGWWILXQTHJX-MLGYPOCJSA-N
Molecular Weight 284.396 g/mol
SMILES OCCC1(C2CCCC3([C@@]2(CCC1O)C)OCCO3)C
SPLASH splash10-000b-9310000000-08c6d5563e6db5929c08
Source of Spectrum KC-0-760-7
Synonyms (5R,6R,8aR)-3,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal (4aR,5R,6S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal (4aR,5R,6R,8aR)-3,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal (4aR,6S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal (4aR,5R,8aR)-3,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal (5'S,6'S,8'aR)-5'-(2-hydroxyethyl)-5',8'a-dimethyl-octahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-6'-ol (5'S,6'R,8'aR)-5'-(2-hydroxyethyl)-5',8'a-dimethyl-octahydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-6'-ol (6S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal (5R,8aR)-3,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-5-(2'-hydroxyethyl)-5,8a-dimethylnaphthalene-1(2H)-one ethylene ketal
Wiley ID 783436