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(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-19-[(1S,3R,4R)-3-hydroxy-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

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(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-19-[(1S,3R,4R)-3-hydroxy-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
SpectraBase Compound ID AsDxyoRIVlx
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40+/m0/s1
InChIKey TWTPPPZIWNGQCQ-YNKJSWFTSA-N
Mol Weight 600.9 g/mol
Molecular Formula C40H56O4
Exact Mass 600.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7khh3zlbvHF
Name (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethyl-cyclopentyl]-19-[(1S,3R,4R)-3-hydroxy-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O4
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40+/m0/s1
InChIKey TWTPPPZIWNGQCQ-YNKJSWFTSA-N
Molecular Weight 600.884 g/mol
SMILES O[C@]1([C@]2(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C([C@@]3(C[C@](CC3(C)C)(O)[H])C)=O)C)C)C)C)O[C@](C1)(CC2(C)C)[H])C
SPLASH splash10-052f-7930100000-fe0b1caa00117ec3af85
Source of Spectrum H-81-1251-11
Synonyms (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1S,3R,4R)-3-hydroxy-3,5,5-trimethyl-7-oxabicyclo[2.2.1]heptan-4-yl]-4,8,13,17-tetramethyl-1-nonadeca-2,4,6,8,10,12,14,16,18-nonaenone (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-1-[(1R,4S)-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]-19-[(1S,3R,4R)-3,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[2.2.1]heptan-4-yl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Wiley ID 1410205