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(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol
SpectraBase Compound ID Gmh704Pyom
InChI InChI=1S/C40H54O5/c1-29(16-12-17-31(3)20-21-35-36(4,5)24-33(42)26-38(35,8)44)14-10-11-15-30(2)18-13-19-32(28-41)22-23-40-37(6,7)25-34(43)27-39(40,9)45-40/h10-20,33-34,41-44H,24-28H2,1-9H3/b11-10+,16-12+,18-13+,29-14+,30-15+,31-17+,32-19-/t21?,33-,34-,38+,39+,40-/m0/s1
InChIKey PLPBVFIAZITKRV-DOSQSNLXSA-N
Mol Weight 614.9 g/mol
Molecular Formula C40H54O5
Exact Mass 614.397125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rfJtYBgkHO
Name (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H54O5
InChI InChI=1S/C40H54O5/c1-29(16-12-17-31(3)20-21-35-36(4,5)24-33(42)26-38(35,8)44)14-10-11-15-30(2)18-13-19-32(28-41)22-23-40-37(6,7)25-34(43)27-39(40,9)45-40/h10-20,33-34,41-44H,24-28H2,1-9H3/b11-10+,16-12+,18-13+,29-14+,30-15+,31-17+,32-19-/t21?,33-,34-,38+,39+,40-/m0/s1
InChIKey PLPBVFIAZITKRV-DOSQSNLXSA-N
Molecular Weight 614.867 g/mol
SMILES O[C@@]1(C[C@@]2([C@](C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C3[C@@](C[C@](CC3(C)C)(O)[H])(O)C)C)C)C)CO)(C(C1)(C)C)O2)C)[H]
SPLASH splash10-0002-0900063000-d39951475f740b0b25e6
Source of Spectrum F-56-9054-15
Synonyms (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-16-(hydroxymethyl)-3,7,12-trimethyl-18-[(1R,3S,6R)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z)-18-[(1R,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12-trimethyl-16-methylol-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol
Wiley ID 859226