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(1R,3S,5Z)-5-[(E)-2-((1R,3aS,7aR)-Hexahydro-1-{(S)-1-[5-(2-hydroxypropan-2-yl)-2H-tetrazol-2-yl]propan-2-yl}-7a-methyl-1H-inden-4(7aH)-ylidene)ethylidene]-4-methylenecyclohexane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(1R,3S,5Z)-5-[(E)-2-((1R,3aS,7aR)-Hexahydro-1-{(S)-1-[5-(2-hydroxypropan-2-yl)-2H-tetrazol-2-yl]propan-2-yl}-7a-methyl-1H-inden-4(7aH)-ylidene)ethylidene]-4-methylenecyclohexane-1,3-diol
SpectraBase Compound ID Al29PHiguT1
InChI InChI=1S/C26H40N4O3/c1-16(15-30-28-24(27-29-30)25(3,4)33)21-10-11-22-18(7-6-12-26(21,22)5)8-9-19-13-20(31)14-23(32)17(19)2/h8-9,16,20-23,31-33H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,26-/m1/s1
InChIKey KNCTYBCEKRDFBZ-LBZBXKOVSA-N
Mol Weight 456.6 g/mol
Molecular Formula C26H40N4O3
Exact Mass 456.310041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HBW780fooR
Name (1R,3S,5Z)-5-[(E)-2-((1R,3aS,7aR)-Hexahydro-1-{(S)-1-[5-(2-hydroxypropan-2-yl)-2H-tetrazol-2-yl]propan-2-yl}-7a-methyl-1H-inden-4(7aH)-ylidene)ethylidene]-4-methylenecyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40N4O3
InChI InChI=1S/C26H40N4O3/c1-16(15-30-28-24(27-29-30)25(3,4)33)21-10-11-22-18(7-6-12-26(21,22)5)8-9-19-13-20(31)14-23(32)17(19)2/h8-9,16,20-23,31-33H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,26-/m1/s1
InChIKey KNCTYBCEKRDFBZ-LBZBXKOVSA-N
Molecular Weight 456.631 g/mol
SMILES O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1[C@]2([C@@]([C@@]([C@@](C[n]3nc(nn3)C(O)(C)C)(C)[H])(CC2)[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-0w2c-0094110000-8855f9ebcdacd90749e4
Source of Spectrum F4-43-3890-3
Wiley ID 1706650