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2-[2-[(1R,3aS,4S,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]ethyl]-4-hydroxy-benzaldehyde

View entire compound with spectra: 1 MS (GC)

2-[2-[(1R,3aS,4S,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]ethyl]-4-hydroxy-benzaldehyde
SpectraBase Compound ID 1TrzOocqyIM
InChI InChI=1S/C27H40O3/c1-18(2)6-5-7-19(3)24-12-13-25-23(26(30)14-15-27(24,25)4)11-9-20-16-22(29)10-8-21(20)17-28/h8,10,16-19,23-25,29H,5-7,9,11-15H2,1-4H3/t19-,23+,24-,25+,27-/m1/s1
InChIKey AKUBWBWIHFZIRR-UELWMJLNSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeRvQcTw5AF
Name 2-[2-[(1R,3aS,4S,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]ethyl]-4-hydroxy-benzaldehyde
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Exact Mass 412.297745145 u
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-18(2)6-5-7-19(3)24-12-13-25-23(26(30)14-15-27(24,25)4)11-9-20-16-22(29)10-8-21(20)17-28/h8,10,16-19,23-25,29H,5-7,9,11-15H2,1-4H3/t19-,23+,24-,25+,27-/m1/s1
InChIKey AKUBWBWIHFZIRR-UELWMJLNSA-N
Instrument Name VG analytical 70-250S
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.710
Molecular Weight 412.614 g/mol
Quality 145
Reported Formula C27H40O3
SMILES OC=1C=C(C(=CC1)C=O)CC[C@@]1(C(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)=O)[H]
SPLASH splash10-0gvo-1942000000-cac80446e502471995c2
Source of Spectrum ARK-2002-89-8 (DOI: 10.3998/ark.5550190.0003.710)
Wiley ID 1904768