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17-nor-8-oxo-13.beta.-labdan-15-oic acid
SpectraBase Compound ID 508oHDCewaq
InChI InChI=1S/C19H32O3/c1-13(12-17(21)22)6-7-14-15(20)8-9-16-18(2,3)10-5-11-19(14,16)4/h13-14,16H,5-12H2,1-4H3,(H,21,22)/t13-,14+,16+,19-/m1/s1
InChIKey WCOSARCIPYHZGA-PGSNGQOISA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQqxgkUyqIh
Name 17-nor-8-oxo-13.beta.-labdan-15-oic acid
Alternate Name(s) (3R)-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-oxodecahydro-1-naphthalenyl]-3-methylpentanoic acid 17-nor-8-oxo-13 beta-labdan-15-oic acid (R)-3-methyl-5-((1R,4aS,8aS)-5,5,8a-trimethyl-2-oxodecahydronaphthalen-1-yl)pentanoic acid
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Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-13(12-17(21)22)6-7-14-15(20)8-9-16-18(2,3)10-5-11-19(14,16)4/h13-14,16H,5-12H2,1-4H3,(H,21,22)/t13-,14+,16+,19-/m1/s1
InChIKey WCOSARCIPYHZGA-PGSNGQOISA-N
Molecular Weight 308.462 g/mol
SMILES OC(C[C@@](CC[C@@]1([C@@]2([C@](C(C)(C)CCC2)(CCC1=O)[H])C)[H])(C)[H])=O
SPLASH splash10-004l-4910000000-bd5537e51b41c89b6a72
Source of Spectrum AD-0-1264-0
Wiley ID 45903