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2-[[(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-2-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol
SpectraBase Compound ID JKFfzGOhz4g
InChI InChI=1S/C21H32O3/c1-19(2)9-5-10-20(3)17(19)8-11-21(4,24)18(20)13-14-12-15(22)6-7-16(14)23/h6-7,12,17-18,22-24H,5,8-11,13H2,1-4H3/t17-,18+,20-,21+/m0/s1
InChIKey ZXQLWSVBDXTOCU-IZZBFERCSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QStGUPXWjN
Name 2-[[(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-2-oxidanyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol
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Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-19(2)9-5-10-20(3)17(19)8-11-21(4,24)18(20)13-14-12-15(22)6-7-16(14)23/h6-7,12,17-18,22-24H,5,8-11,13H2,1-4H3/t17-,18+,20-,21+/m0/s1
InChIKey ZXQLWSVBDXTOCU-IZZBFERCSA-N
Molecular Weight 332.484 g/mol
SMILES Oc1cc(c(cc1)O)C[C@@]1([C@@]2([C@](C(C)(C)CCC2)(CC[C@]1(O)C)[H])C)[H]
SPLASH splash10-01vo-1901000000-eaeba28fc16cc5841755
Source of Spectrum X2-68-657-4
Synonyms 2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol 2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methyl]benzene-1,4-diol 2-[[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methyl]hydroquinone
Wiley ID 1609536