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Methyl 7-keto-16 beta-(-)-Kauran-18-oate
SpectraBase Compound ID 826nZfehnx4
InChI InChI=1S/C21H32O3/c1-13-11-21-12-14(13)6-7-15(21)19(2)8-5-9-20(3,18(23)24-4)16(19)10-17(21)22/h13-16H,5-12H2,1-4H3/t13-,14+,15+,16+,19+,20?,21+/m0/s1
InChIKey FDAUWBAZUIYRJS-JMAOZDBMSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE0EiQsKV4l
Name Methyl 7-keto-16 beta-(-)-Kauran-18-oate
Alternate Name(s) (4aR,6aR,8S,9R,11aR,11bR)-methyl 4,8,11b-trimethyl-6-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13-11-21-12-14(13)6-7-15(21)19(2)8-5-9-20(3,18(23)24-4)16(19)10-17(21)22/h13-16H,5-12H2,1-4H3/t13-,14+,15+,16+,19+,20?,21+/m0/s1
InChIKey FDAUWBAZUIYRJS-JMAOZDBMSA-N
Molecular Weight 332.484 g/mol
SMILES C1CC[C@@]2([C@@]3([C@@]4(C(C[C@]2(C1(C(=O)OC)C)[H])=O)C[C@](C)([C@@](C4)(CC3)[H])[H])[H])C
SPLASH splash10-00di-9240000000-f9726f962714d2da4f2b
Source of Spectrum JX-2015-6-12424
Wiley ID 1731258