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3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enol
SpectraBase Compound ID KgHqhlaF3iS
InChI InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
InChIKey BMQNSHDVIYZULR-QQGJMDNJSA-N
Mol Weight 550.9 g/mol
Molecular Formula C40H54O
Exact Mass 550.417466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TFJlw1r1U4
Name 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enol
CAS Registry Number 752-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O
InChI InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
InChIKey BMQNSHDVIYZULR-QQGJMDNJSA-N
Molecular Weight 550.871 g/mol
SMILES OC1CC(=C(\C=C\C(=C\C=C\C(C)=C\C=C\C=C/(C)\C=C\C=C/(C)\C=C\C2=C(C)C=CCC2(C)C)C)C(C1)(C)C)C
SPLASH splash10-0zfr-5920010000-5cfd73611b0c9d974cf6
Source of Spectrum W6-1989-34867-30669
Synonyms 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol Anhydrolutein II
Wiley ID 142890