| SpectraBase Spectrum ID |
5oQD06YiHho |
| Name |
3'-(Cholan-3-one-24-oate)-2',2',5',5'-tetramethylpyrrolidine-1'-oxyl |
| Comments |
Note: The molecular formula of the structure shown is C32H52NO4 - which differs from the formula reported for the mass spectrum (C33H54NO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H54NO4 |
| InChI |
InChI=1S/C32H52NO4/c1-20(8-13-28(35)37-27-19-29(2,3)33(36)30(27,4)5)24-11-12-25-23-10-9-21-18-22(34)14-16-31(21,6)26(23)15-17-32(24,25)7/h20-21,23-27H,8-19H2,1-7H3/t20?,21?,23-,24+,25-,26-,27?,31-,32+/m0/s1 |
| InChIKey |
LVGOVFFQXVCBOI-MOPBQGDFSA-N |
| Molecular Weight |
514.771 g/mol |
| SMILES |
C1([N](C(CC1OC(=O)CCC([C@@]1([C@@]2([C@@]([C@]3([C@]([C@@]4(C(CC(CC4)=O)CC3)C)([H])CC2)[H])([H])CC1)C)[H])C)(C)C)=O)(C)C |
| SPLASH |
splash10-004i-0000190000-562c2d9d00bd142b7053 |
| Source of Spectrum |
F-48-9919-17 |
| Wiley ID |
1403131 |
