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[(R)-AHPC]2 (1R,2R)-CHDA [(R)-Bis-(4-acetyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]

View entire compound with spectra: 2 MS (GC)

[(R)-AHPC]2 (1R,2R)-CHDA [(R)-Bis-(4-acetyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]
SpectraBase Compound ID FKTwnfh4tcM
InChI InChI=1S/C42H46N2O2/c1-27(39-33-18-14-29-10-12-30(13-11-29)15-20-35(24-22-33)41(39)45)43-37-8-3-4-9-38(37)44-28(2)40-34-19-16-31-6-5-7-32(26-31)17-21-36(25-23-34)42(40)46/h5-7,10-13,22-26,37-38,45-46H,3-4,8-9,14-21H2,1-2H3/b43-27+,44-28+/t37-,38-/m1/s1
InChIKey HEGMKXBWZUCVCK-MCXRQJTPSA-N
Mol Weight 610.8 g/mol
Molecular Formula C42H46N2O2
Exact Mass 610.355929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mxoFTu4DyO
Name [(R)-AHPC]2 (1R,2R)-CHDA [(R)-Bis-(4-acetyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H46N2O2
InChI InChI=1S/C42H46N2O2/c1-27(39-33-18-14-29-10-12-30(13-11-29)15-20-35(24-22-33)41(39)45)43-37-8-3-4-9-38(37)44-28(2)40-34-19-16-31-6-5-7-32(26-31)17-21-36(25-23-34)42(40)46/h5-7,10-13,22-26,37-38,45-46H,3-4,8-9,14-21H2,1-2H3/b43-27+,44-28+/t37-,38-/m1/s1
InChIKey HEGMKXBWZUCVCK-MCXRQJTPSA-N
Molecular Weight 610.842 g/mol
SMILES Oc1c(\C(=N\[C@]2([C@](\N=C\(c3c(c4ccc3CCc3ccc(CC4)cc3)O)C)(CCCC2)[H])[H])C)c2CCc3cccc(CCc1cc2)c3
SPLASH splash10-0w29-0900000000-0f473c8807c5f041618d
Source of Spectrum KD-14-1380-7
Synonyms [(S)-AHPC]2 (1R,2R)-CHDA [(S)-Bis-(4-acetyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine]
Wiley ID 1636073