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3'-Epilutein

View entire compound with spectra: 5 MS (GC)

3'-Epilutein
SpectraBase Compound ID DVW7OkkgpkG
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1
InChIKey KBPHJBAIARWVSC-IRHPOQNPSA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jzwWJEftsq
Name 3'-Epilutein
Alternate Name(s) (1S,4R)-4-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-((R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-3,5,5-trimethylcyclohex-2-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37+/m1/s1
InChIKey KBPHJBAIARWVSC-IRHPOQNPSA-N
Literature Reference DOI 10.1002/hlca.200490195
Molecular Weight 568.886 g/mol
SMILES O[C@]1(CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@@]2(C(C[C@@](C=C2C)(O)[H])(C)C)[H])C)C)C)C)=C(C1)C)(C)C)[H]
SPLASH splash10-014i-0200090000-abe22b3f13cfb8fe384d
Source of Spectrum H-87-2167-2
Wiley ID 1785592