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Hardwickiic acid methylester
SpectraBase Compound ID 1iW0GgTP8Gd
InChI InChI=1S/C21H30O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3/t15-,18-,20-,21+/m1/s1
InChIKey QDSWHJNTSPBQME-SKBHOOIQSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NoZTVgOorr
Name Hardwickiic acid methylester
Alternate Name(s) (4a.alpha.,5.alpha.,6.beta.,8a.beta.)-5[2-(3-furanyl) ethyl]- 3,4,4a,5,6,7,8,8a -octahydro-5,6,8a-trimethyl-1-naphthalene-carboxylic acid Methyl (4aR,5R,6R,8aR)-5-[2-(3-furyl)ethyl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate Methyl hardwickiate
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Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h6,10,13-15,18H,5,7-9,11-12H2,1-4H3/t15-,18-,20-,21+/m1/s1
InChIKey QDSWHJNTSPBQME-SKBHOOIQSA-N
Molecular Weight 330.468 g/mol
SMILES [C@]12(C(C(=O)OC)=CCC[C@@]2([C@@](CCc2cocc2)(C)[C@@](CC1)(C)[H])[H])C
SPLASH splash10-0f79-3960000000-ea0554dd9dea3bc6d1f8
Source of Spectrum Va-0-0-0
Wiley ID 739073