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4,4,8,9a-Tetramethyl-9-[2'-(hydroxycarbonyl)ethyl]-perhydronaphthalen-7-one
SpectraBase Compound ID IX2oWNYqtM3
InChI InChI=1S/C17H28O3/c1-11-12(6-7-15(19)20)17(4)9-5-8-16(2,3)14(17)10-13(11)18/h11-12,14H,5-10H2,1-4H3,(H,19,20)/t11-,12-,14-,17+/m0/s1
InChIKey BPXHQJBTPTZYKJ-MYLCLEHYSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1af86tzaoC
Name 4,4,8,9a-Tetramethyl-9-[2'-(hydroxycarbonyl)ethyl]-perhydronaphthalen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-11-12(6-7-15(19)20)17(4)9-5-8-16(2,3)14(17)10-13(11)18/h11-12,14H,5-10H2,1-4H3,(H,19,20)/t11-,12-,14-,17+/m0/s1
InChIKey BPXHQJBTPTZYKJ-MYLCLEHYSA-N
Molecular Weight 280.408 g/mol
SMILES OC(CC[C@@]1([C@@]2([C@@](CC([C@]1(C)[H])=O)(C(C)(C)CCC2)[H])C)[H])=O
SPLASH splash10-0abc-9820000000-c0dedfe39d8315a0973d
Source of Spectrum Y4-84-216-9
Synonyms 7-Oxo-14,15,16-trinor-labdane-13-oic Acid 3-[(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-3-oxodecahydro-1-naphthalenyl]propanoic acid
Wiley ID 1550124