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Propanoic acid, 2-[octahydro-3'a,7'a-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2R)
SpectraBase Compound ID Iv7zW4a6qv3
InChI InChI=1S/C15H24O2/c1-9(13(16)17)12-6-7-14(2)10-4-5-11(8-10)15(12,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-,12-,14-,15-/m1/s1
InChIKey BOKOJDRVYNIUJP-JCJKHTMNSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FaNb2siCV9
Name Propanoic acid, 2-[octahydro-3'a,7'a-dimethyl-4',7'-methano-1'H-inden-1'-yl-(1'alpha,3a'alpha,4'beta,7'beta,7a'alpha)]-(2R)
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Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-9(13(16)17)12-6-7-14(2)10-4-5-11(8-10)15(12,14)3/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-,12-,14-,15-/m1/s1
InChIKey BOKOJDRVYNIUJP-JCJKHTMNSA-N
Literature Reference DOI 10.1002/ffj.2730100315
Molecular Weight 236.355 g/mol
SMILES OC([C@@]([C@@]1([C@]2([C@@]3(CC[C@]([C@]2(CC1)C)(C3)[H])[H])C)[H])(C)[H])=O
SPLASH splash10-00xs-6900000000-684f07e6caaf1118e071
Source of Spectrum FF-10-214-3
Synonyms Cyclosantalic acid (R)-2-((1R,3aR,4S,7R,7aR)-3a,7a-dimethyloctahydro-1H-4,7-methanoinden-1-yl)propanoic acid
Wiley ID 1801305