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4-[(4aS,5S,8aS)-(+)-3,4,4a,5,6,7,8,8a-octahydro-2,5,8a-trimethyl-5-(4'-methylpent-3'-enyl)naphthalen-1-yl]butan-2-one-ethylene acetal

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-[(4aS,5S,8aS)-(+)-3,4,4a,5,6,7,8,8a-octahydro-2,5,8a-trimethyl-5-(4'-methylpent-3'-enyl)naphthalen-1-yl]butan-2-one-ethylene acetal
SpectraBase Compound ID 2hUNRnpqRGe
InChI InChI=1S/C25H42O2/c1-19(2)9-7-13-23(4)14-8-15-24(5)21(20(3)10-11-22(23)24)12-16-25(6)26-17-18-27-25/h9,22H,7-8,10-18H2,1-6H3/t22-,23+,24+/m0/s1
InChIKey BBPHUYZEVNFFEW-RBZQAINGSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3X3xiL4PLgi
Name 4-[(4as,5S,8as)-(+)-3,4,4A,5,6,7,8,8A-octahydro-2,5,8A-trimethyl-5-(4'-methylpent-3'-enyl)naphthalen-1-yl]butan-2-one-ethylene acetal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.318480590 u
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-19(2)9-7-13-23(4)14-8-15-24(5)21(20(3)10-11-22(23)24)12-16-25(6)26-17-18-27-25/h9,22H,7-8,10-18H2,1-6H3/t22-,23+,24+/m0/s1
InChIKey BBPHUYZEVNFFEW-RBZQAINGSA-N
Molecular Weight 374.609 g/mol
SMILES [C@@]12(C(=C(C)CC[C@]2([C@@](CCC=C(C)C)(C)CCC1)[H])CCC1(OCCO1)C)C