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4aS,5S,8aS)-5.beta.,8a.beta.Dimethyl-2-formyl-1Z-methoxymethylene-5.alpha.-(4-methyl-3-pentenyl)-1,4,4a.alpha.,5,6,7,8,8a-octahydronaphthalene

View entire compound with spectra: 1 MS (GC)

4aS,5S,8aS)-5.beta.,8a.beta.Dimethyl-2-formyl-1Z-methoxymethylene-5.alpha.-(4-methyl-3-pentenyl)-1,4,4a.alpha.,5,6,7,8,8a-octahydronaphthalene
SpectraBase Compound ID LaSoeTLKxgn
InChI InChI=1S/C21H32O2/c1-16(2)8-6-11-20(3)12-7-13-21(4)18(15-23-5)17(14-22)9-10-19(20)21/h8-9,14-15,19H,6-7,10-13H2,1-5H3/b18-15+/t19-,20-,21-/m1/s1
InChIKey IUDFITGGHKDADU-FBXLVKIISA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APafxP0dbZb
Name 4aS,5S,8aS)-5.beta.,8a.beta.Dimethyl-2-formyl-1Z-methoxymethylene-5.alpha.-(4-methyl-3-pentenyl)-1,4,4a.alpha.,5,6,7,8,8a-octahydronaphthalene
CAS Registry Number 123257-75-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-16(2)8-6-11-20(3)12-7-13-21(4)18(15-23-5)17(14-22)9-10-19(20)21/h8-9,14-15,19H,6-7,10-13H2,1-5H3/b18-15+/t19-,20-,21-/m1/s1
InChIKey IUDFITGGHKDADU-FBXLVKIISA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]12(\C(C(C=O)=CC[C@@]2([C@@](CCC=C(C)C)(C)CCC1)[H])=C\OC)C
SPLASH splash10-0ldl-9507000000-848f0345413cfcef65ff
Source of Spectrum AJ-62-625-8
Synonyms (1Z,4aR,5S,8aS)-1-(methoxymethylene)-5,8a-dimethyl-5-(4-methyl-3-pentenyl)-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarbaldehyde
Wiley ID 1317294