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Deoxyspongiaquinol
SpectraBase Compound ID GAto3IQSJP6
InChI InChI=1S/C22H32O3/c1-14-7-8-19-21(2,3)9-6-10-22(19,4)17(14)12-15-11-16(23)13-18(25-5)20(15)24/h11-14,19,23-24H,6-10H2,1-5H3/b17-12+/t14-,19+,22+/m0/s1
InChIKey LDISHKNDKIDRQP-BOUNTTQUSA-N
Mol Weight 344.5 g/mol
Molecular Formula C22H32O3
Exact Mass 344.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jBiFecG2bY
Name Deoxyspongiaquinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3
InChI InChI=1S/C22H32O3/c1-14-7-8-19-21(2,3)9-6-10-22(19,4)17(14)12-15-11-16(23)13-18(25-5)20(15)24/h11-14,19,23-24H,6-10H2,1-5H3/b17-12+/t14-,19+,22+/m0/s1
InChIKey LDISHKNDKIDRQP-BOUNTTQUSA-N
Molecular Weight 344.495 g/mol
SMILES Oc1cc(c(c(c1)OC)O)\C=C\1[C@@]2([C@](C(C)(C)CCC2)([H])CC[C@@]1(C)[H])C
SPLASH splash10-052f-2935000000-eb6831f984cadd4d9ae3
Source of Spectrum U1-2014-6981-3
Synonyms 2-[(E)-((2S,4aR,8aS)-2,5,5,8a-tetramethyloctahydro-1(2H)-naphthalenylidene)methyl]-6-methoxy-1,4-benzenediol 2-Methoxy-6-((E)-((2S,4aR,8aS)-2,5,5,8a-tetramethyloctahydronaphthalen-1(2H)-ylidene)methyl)benzene-1,4-diol
Wiley ID 1740992