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(1S,3S,4R)-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,3S,4R)-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[2.2.1]heptane
SpectraBase Compound ID 9eiicAjPrUt
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-33-37(5,6)35-25-27-39(33,9)41-35)15-11-12-16-30(2)18-14-20-32(4)22-24-34-38(7,8)36-26-28-40(34,10)42-36/h11-24,33-36H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,39+,40+/m0/s1
InChIKey MKCFVWFXGBTDGH-VAYHFTQPSA-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 GknKwc8i9Me
Name (1S,3S,4R)-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,3S,4R)-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[2.2.1]heptane
CAS Registry Number 132204-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-33-37(5,6)35-25-27-39(33,9)41-35)15-11-12-16-30(2)18-14-20-32(4)22-24-34-38(7,8)36-26-28-40(34,10)42-36/h11-24,33-36H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35-,36-,39+,40+/m0/s1
InChIKey MKCFVWFXGBTDGH-VAYHFTQPSA-N
Molecular Weight 568.886 g/mol
SMILES [C@@]12(O[C@@](CC2)(C([C@@]1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@@]1([C@@]2(O[C@](C1(C)C)(CC2)[H])C)[H])C)C)C)C)[H])(C)C)[H])C
SPLASH splash10-0aov-2920010000-5be18d2837501eea8c0a
Source of Spectrum H-73-2198-14
Wiley ID 1407601