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7-[(2'E,6'E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-enyl]nona-2,6-dienyl]-6-tert-butoxyamino-9-methyl-7H-purinum

View entire compound with spectra: 1 MS (GC)

7-[(2'E,6'E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-enyl]nona-2,6-dienyl]-6-tert-butoxyamino-9-methyl-7H-purinum
SpectraBase Compound ID 6SVtBldsdkV
InChI InChI=1S/C30H47N5O/c1-22(16-18-30(8)24(3)14-11-15-25(30)4)12-10-13-23(2)17-19-35-21-34(9)28-26(35)27(31-20-32-28)33-36-29(5,6)7/h12,14,17,20-21,25H,10-11,13,15-16,18-19H2,1-9H3/b22-12+,23-17+/t25-,30-/m1/s1
InChIKey VYOWIHFBTBIMMW-ACGTWYODSA-N
Mol Weight 493.7 g/mol
Molecular Formula C30H47N5O
Exact Mass 493.378061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgJYZ2p0wkk
Name 7-[(2'E,6'E)-3,7-Dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-enyl]nona-2,6-dienyl]-6-tert-butoxyamino-9-methyl-7H-purinum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H47N5O
InChI InChI=1S/C30H47N5O/c1-22(16-18-30(8)24(3)14-11-15-25(30)4)12-10-13-23(2)17-19-35-21-34(9)28-26(35)27(31-20-32-28)33-36-29(5,6)7/h12,14,17,20-21,25H,10-11,13,15-16,18-19H2,1-9H3/b22-12+,23-17+/t25-,30-/m1/s1
InChIKey VYOWIHFBTBIMMW-ACGTWYODSA-N
Molecular Weight 493.740 g/mol
SMILES c12[n+](c[n](c2N=C[N-]\C1=N\OC(C)(C)C)C)C\C=C\(CC\C=C\(CC[C@@]1(C(=CCC[C@]1(C)[H])C)C)C)C
SPLASH splash10-014i-1910000000-5a498dba535a9f221063
Source of Spectrum F-65-197-16a
Wiley ID 1712725