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(1R,3S,4S,5S,7R,9R,10R,11R)-9-Acetyloxy-1,7-dihydroxylongipinane
SpectraBase Compound ID 8i8CHpdtjga
InChI InChI=1S/C17H28O4/c1-8-6-10(19)14-15-13(8)17(14,5)12(21-9(2)18)7-11(20)16(15,3)4/h8,10-15,19-20H,6-7H2,1-5H3/t8-,10+,11+,12+,13-,14+,15-,17+/m0/s1
InChIKey YDDSHERPRRIOFJ-UNBUGJSHSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B47utGYXghM
Name (1R,3S,4S,5S,7R,9R,10R,11R)-9-Acetyloxy-1,7-dihydroxylongipinane
Appearance White solid
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Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-8-6-10(19)14-15-13(8)17(14,5)12(21-9(2)18)7-11(20)16(15,3)4/h8,10-15,19-20H,6-7H2,1-5H3/t8-,10+,11+,12+,13-,14+,15-,17+/m0/s1
InChIKey YDDSHERPRRIOFJ-UNBUGJSHSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 296.407 g/mol
Optical Rotation [a]D = +15 (589 nm), +16 (578 nm), +18 (546 nm), +32 (436 nm), +54 (365 nm) (c 0.15, CHCl3)
Reported Formula C17H28O4
SMILES O[C@@]1(C[C@]([C@]2([C@]3([C@]([C@@]2([C@](C[C@]3(O)[H])(C)[H])[H])(C1(C)C)[H])[H])C)(OC(C)=O)[H])[H]
SPLASH splash10-0aov-9720000000-361020aa662fa9fb555b
Source of Spectrum G4-65-1407-17
Wiley ID 1883380