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2-[(E)-4-(2',2',4a,7a-tetramethyl-3'-oxidanyl-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl)-3-methyl-but-2-enyl]-6-methyl-benzene-1,4-diol
SpectraBase Compound ID 3YKJkRekJGV
InChI InChI=1S/C27H38O5/c1-17(8-9-19-14-20(28)13-18(2)23(19)30)12-21-15-25(5)10-7-11-26(25,6)27(31-21)16-22(29)24(3,4)32-27/h8,13-15,22,28-30H,7,9-12,16H2,1-6H3/b17-8+
InChIKey NAGGUTLYHIBWFX-CAOOACKPSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSRc4fSIJzK
Name 2-[(E)-4-(2',2',4a,7a-tetramethyl-3'-oxidanyl-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl)-3-methyl-but-2-enyl]-6-methyl-benzene-1,4-diol
CAS Registry Number 111455-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-17(8-9-19-14-20(28)13-18(2)23(19)30)12-21-15-25(5)10-7-11-26(25,6)27(31-21)16-22(29)24(3,4)32-27/h8,13-15,22,28-30H,7,9-12,16H2,1-6H3/b17-8+
InChIKey NAGGUTLYHIBWFX-CAOOACKPSA-N
Molecular Weight 442.596 g/mol
SMILES OC1CC2(C3(CCCC3(C=C(C\C(=C\Cc3c(c(cc(c3)O)C)O)C)O2)C)C)OC1(C)C
SPLASH splash10-0ug3-4910000000-b6e138b535879f9658d7
Source of Spectrum F-42-6019-1
Synonyms 2-[(E)-4-(3'-hydroxy-2',2',4a,7a-tetramethyl-3-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]yl)-3-methylbut-2-enyl]-6-methylbenzene-1,4-diol 2-[(E)-4-(3'-hydroxy-2',2',4a,7a-tetramethyl-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-tetrahydrofuran]-3-yl)-3-methyl-but-2-enyl]-6-methyl-benzene-1,4-diol 2-[(E)-4-(3'-hydroxy-2',2',4a,7a-tetramethyl-spiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-tetrahydrofuran]-3-yl)-3-methyl-but-2-enyl]-6-methyl-hydroquinone 2-[(E)-4-(3'-hydroxy-2',2',4a,7a-tetramethylspiro[6,7-dihydro-5H-cyclopenta[c]pyran-1,5'-oxolane]-3-yl)-3-methylbut-2-enyl]-6-methylbenzene-1,4-diol Amentol
Wiley ID 1385449