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HYDROXYSARGAQUINONE;(2E,6E,10E,14E)-2-(9-HYDROXY-3,7,11,15-TETRAMETHYLHEXADECA-2,6,10,14-TETRAENYL)-6-METHYL-1,4-BENZOQUINONE
SpectraBase Compound ID 5Ri05KsQZoQ
InChI InChI=1S/C27H38O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)17-23(6)27(24)30/h9,12-13,15,17-18,25,28H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+
InChIKey ITPMCPADGKSIBU-OPKIJKSPSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DASUuSRrhMs
Name 2-Methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethyl-9-oxidanyl-hexadeca-2,6,10,14-tetraenyl]cyclohexa-2,5-diene-1,4-dione
Alternate Name(s) 2-[(2E,6E,10E)-9-hydroxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl]-6-methyl-1,4-benzoquinone 2-[(2E,6E,10E)-9-hydroxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl]-6-methyl-p-benzoquinone 2-[(2E,6E,10E)-9-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CAS Registry Number 130756-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-19(2)9-7-11-21(4)15-25(28)16-22(5)12-8-10-20(3)13-14-24-18-26(29)17-23(6)27(24)30/h9,12-13,15,17-18,25,28H,7-8,10-11,14,16H2,1-6H3/b20-13+,21-15+,22-12+
InChIKey ITPMCPADGKSIBU-OPKIJKSPSA-N
Molecular Weight 410.598 g/mol
SMILES OC(\C=C\(CCC=C(C)C)C)C\C(=C\CC\C(=C\CC=1C(C(C)=CC(C1)=O)=O)C)C
SPLASH splash10-00or-6900000000-b2f52ca075e560267719
Source of Spectrum I-68-1400-2
Wiley ID 1373832