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#2;ILIMAQUINONE;[1R-(1-BETA,2-BETA,4A-BETA,8A-ALPHA)-3-(DECAHYDRO-1,2,4A,5-TRIMETHYL-5-METHYLEN-1-NAPHTHYL)-METHYL]-2-HYDROXY-5-METHOXY-2,5-CYCLOHEXADIENE-1,4-
SpectraBase Compound ID JblmsvjjVIF
InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1
InChIKey JJWITJNSXCXULM-YVUMSICPSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pJ1UrcicV7
Name 2,5-Cyclohexadiene-1,4-dione, 3-((decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl)methyl)-2-hydroxy-5-methoxy-, (1R-(1alpha,2beta,4abeta,8aalpha))-
Alternate Name(s) 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-2-hydroxy-5-methoxy-p-benzoquinone 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione Ilimaquinone Illimaquinone Imaquinone
CAS Registry Number 71678-03-0
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Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1
InChIKey JJWITJNSXCXULM-YVUMSICPSA-N
Molecular Weight 358.478 g/mol
SMILES OC1=C(C(C(=CC1=O)OC)=O)C[C@]1([C@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])C
SPLASH splash10-05mn-2900000000-9299a3fa08e44cea64c8
Source of Spectrum F-45-2002-1
Wiley ID 1347312