| SpectraBase Spectrum ID |
AHDWllM5SZD |
| Name |
2-[3,5-bis(trifluoromethyl)benzyl]-4.alpha.-({[3,5-bis(trifluoromethyl)benzyl]oxy}methyl-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H30F12N2O2 |
| InChI |
InChI=1S/C33H30F12N2O2/c1-28(48)17-46-29(21-5-3-2-4-6-21,18-49-16-20-9-24(32(40,41)42)12-25(10-20)33(43,44)45)27-15-47(14-26(27)28)13-19-7-22(30(34,35)36)11-23(8-19)31(37,38)39/h2-12,26-27,46,48H,13-18H2,1H3/t26-,27-,28+,29-/m0/s1 |
| InChIKey |
SEDJWHPKPQZSBP-FKWFRFQNSA-N |
| Molecular Weight |
714.596 g/mol |
| SMILES |
N1C[C@]([C@@]2([C@@]([C@@]1(c1ccccc1)COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2)[H])[H])(O)C |
| SPLASH |
splash10-0a4i-0000900000-ab3260dd6559b5f4f2bf |
| Source of Spectrum |
F-56-6288-15 |
| Wiley ID |
858086 |
![2-[3,5-bis(trifluoromethyl)benzyl]-4.alpha.-({[3,5-bis(trifluoromethyl)benzyl]oxy}methyl-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol](/api/spectrum/AHDWllM5SZD/structure.png?h=300&w=458 "2-[3,5-bis(trifluoromethyl)benzyl]-4.alpha.-({[3,5-bis(trifluoromethyl)benzyl]oxy}methyl-7.beta.-methyl-4-.beta.-phenyl-3a.alpha.,7a.alpha.-octahydro-1H-pyrrolo[3,4-c]pyridin-7-.alpha.-ol")
