SpectraBase Spectrum ID |
FHTC9mB2kYZ |
Name |
[(R)-AHPC][(S)-FHPC] (1R,2R)-CHDA [(R)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(S)-(4-formyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine] |
Alternate Name(s) |
[(S)-AHPC][(R)-FHPC] (1R,2R)-CHDA [(S)-(4-acetyl-5-hydroxy[2.2]phracyclophane)-(R)-(4-formyl-5-hydroxy[2.2]phracyclophane) (1R,2R)-cyclohexanediamine] |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C41H44N2O2 |
InChI |
InChI=1S/C41H44N2O2/c1-27(39-33-17-13-29-7-5-9-31(25-29)15-19-35(23-21-33)41(39)45)43-38-11-3-2-10-37(38)42-26-36-32-16-12-28-6-4-8-30(24-28)14-18-34(22-20-32)40(36)44/h4-9,20-26,37-38,44-45H,2-3,10-19H2,1H3/b42-26+,43-27+/t37-,38-/m1/s1 |
InChIKey |
CODWJECOJBTZOP-GMZZSGJTSA-N |
Molecular Weight |
596.815 g/mol |
SMILES |
Oc1c(\C=N\[C@]2([C@](\N=C\(c3c(c4ccc3CCc3cccc(CC4)c3)O)C)(CCCC2)[H])[H])c2CCc3cccc(CCc1cc2)c3 |
SPLASH |
splash10-0w2a-0900020000-858fcbc873a09f83f422 |
Source of Spectrum |
KD-14-1382-16 |
Wiley ID |
1636064 |