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2-Methyl-3-[(2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl]-1,4-naphthoquinone
SpectraBase Compound ID B7wmEIUOShM
InChI InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+
InChIKey ROENOAFLUDRPDJ-PPGBVOQZSA-N
Mol Weight 719.2 g/mol
Molecular Formula C51H74O2
Exact Mass 718.568882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20CueyNKkzm
Name 2-Methyl-3-[(2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl]-1,4-naphthoquinone
CAS Registry Number 21632-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H74O2
InChI InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+
InChIKey ROENOAFLUDRPDJ-PPGBVOQZSA-N
Molecular Weight 719.151 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)C)C\C=C\(CCCC(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C
SPLASH splash10-004i-0491000200-9a6a1bdbde3ccd518686
Source of Spectrum T-68-5976-0
Synonyms 2-Methyl-3-[(2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl]naphthalene-1,4-dione
Wiley ID 66418