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2,5-Cyclohexadien-1-one, 3,3'-(3,7,11,15-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[6-hydroxy-2,4,4-trimethyl-

View entire compound with spectra: 2 MS (GC)

2,5-Cyclohexadien-1-one, 3,3'-(3,7,11,15-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[6-hydroxy-2,4,4-trimethyl-
SpectraBase Compound ID L4v3gHqMNSY
InChI InChI=1S/C40H48O4/c1-27(17-12-18-29(3)21-14-22-33-31(5)37(43)35(41)25-39(33,7)8)15-11-16-28(2)19-13-20-30(4)23-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b15-11+,18-12+,19-13+,22-14+,24-23+,27-17+,28-16+,29-21+,30-20+
InChIKey VAUFFLJOHQDWGX-VBNLBSBHSA-N
Mol Weight 592.8 g/mol
Molecular Formula C40H48O4
Exact Mass 592.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID alTDKARoDT
Name 2,5-CYCLOHEXADIEN-1-ONE, 3,3'-(3,7,11,15-TETRAMETHYL-1,3,5,7,9,11,13,15,17-OCTADECANONAENE-1,18-DIYL)BIS[6-HYDROXY-2,4,4-TRIMETHYL-
Alternate Name(s) 2,5-CYCLOHEXADIEN-1-ONE, 3,3'-(3,7,11,15-TETRAMETHYL-1,3,5,7,9,11,13,15,17-OCTADECANONAENE-1,18-DIYL)BIS[6-HYDROXY-2,4,4-TRIMETHYL- (ASTACIN-1)
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Formula C40H48O4
InChI InChI=1S/C40H48O4/c1-27(17-12-18-29(3)21-14-22-33-31(5)37(43)35(41)25-39(33,7)8)15-11-16-28(2)19-13-20-30(4)23-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-26,41-42H,1-10H3/b15-11+,18-12+,19-13+,22-14+,24-23+,27-17+,28-16+,29-21+,30-20+
InChIKey VAUFFLJOHQDWGX-VBNLBSBHSA-N
Molecular Weight 592.3540
SMILES OC1=CC(C(\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=2C(C=C(O)C(C2C)=O)(C)C)C)C)C)C)=C(C1=O)C)(C)C
SPLASH splash10-0f6x-5940000000-1ae9bbfddf09d7edb96b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany