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11,13-Dihydrosantamarin
SpectraBase Compound ID IogncVYd8Xd
InChI InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h8,10-13,16H,2,4-7H2,1,3H3/t8?,10-,11+,12+,13-,15-/m0/s1
InChIKey LAELSZWBPBQYAF-GNKGPDPNSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNNoPTROWSa
Name 11,13-Dihydrosantamarin
Alternate Name(s) (3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylenedecahydronaphtho[1,2-b]furan-2(3H)-one
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h8,10-13,16H,2,4-7H2,1,3H3/t8?,10-,11+,12+,13-,15-/m0/s1
InChIKey LAELSZWBPBQYAF-GNKGPDPNSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]1([C@]2([C@@]([C@]3(OC(=O)C([C@@]3(CC2)[H])=C)[H])(C(CC1)C)[H])C)[H]
SPLASH splash10-0a59-9540000000-ca3d3be9af9f83bfc0a6
Source of Spectrum LQ-1992-3164-0
Wiley ID 1253620