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(1R,2R,4E,6R)-4-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-(4-hydroxybutoxy)-1-methyl-cyclohexane-1,2-diol

View entire compound with spectra: 1 MS (GC)

(1R,2R,4E,6R)-4-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-(4-hydroxybutoxy)-1-methyl-cyclohexane-1,2-diol
SpectraBase Compound ID 5XKjgl8dVlX
InChI InChI=1S/C31H54O5/c1-22(10-8-16-29(2,3)34)25-14-15-26-24(11-9-17-30(25,26)4)13-12-23-20-27(33)31(5,35)28(21-23)36-19-7-6-18-32/h12-13,22,25-28,32-35H,6-11,14-21H2,1-5H3/b23-12+,24-13+/t22-,25-,26+,27-,28-,30-,31-/m1/s1
InChIKey PDUUBXXHDWBVEW-PWGNURBJSA-N
Mol Weight 506.8 g/mol
Molecular Formula C31H54O5
Exact Mass 506.397125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJkdyetOMuc
Name (1R,2R,4E,6R)-4-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-(4-hydroxybutoxy)-1-methyl-cyclohexane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H54O5
InChI InChI=1S/C31H54O5/c1-22(10-8-16-29(2,3)34)25-14-15-26-24(11-9-17-30(25,26)4)13-12-23-20-27(33)31(5,35)28(21-23)36-19-7-6-18-32/h12-13,22,25-28,32-35H,6-11,14-21H2,1-5H3/b23-12+,24-13+/t22-,25-,26+,27-,28-,30-,31-/m1/s1
InChIKey PDUUBXXHDWBVEW-PWGNURBJSA-N
Instrument Name JEOL JMSAX505HA
Ionization Type EI
Literature Reference DOI 10.1021/jm400537h
Molecular Weight 506.768 g/mol
SMILES OC(CCC[C@]([C@]1(CC[C@]2(\C(=C\C=C/3C[C@]([C@@]([C@@](C3)(OCCCCO)[H])(C)O)(O)[H])CCC[C@]12C)[H])[H])(C)[H])(C)C
SPLASH splash10-004i-9000000000-c44f820ebb8d55a6666c
Source of Spectrum AF-56-6757-2e'
Wiley ID 1854600