3-oxo-24-ethyl-26-al-cholest-4-ene

Properties Image MNX_ID MNXM10078 reference metacycM:CPD-13798 formula C29H46O2 global charge 0 mol weight 426.685 InChIKey XHNGAOGTEZRMPZ-XXIXIULKSA-N InChI InChI=1S/C29H46O2/c1-6-21(20(3)18-30)8-7-19(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h17-21,24-27H,6-16H2,1-5H3/t19-,20?,21-,24+,25-,26+,27+,28+,29-/m1/s1 SMILES CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C=O MNX internals InChI (mnx) InChI=1/C29H46O2/c1-6-21(20(3)18-30)8-7-19(2)25-11-12-26-24-10-9-22-17-23(31)13-15-28(22,4)27(24)14-16-29(25,26)5/h17-21,24-27H,6-16H2,1-5H3/t19-,20?,21-,24+,25-,26+,27+,28+,29-/m1/s1 SMILES (mnx) [CH3:1][CH2:6][C@H:21]([CH2:8][CH2:7][C@@H:19]([CH3:2])[C@H:25]1[CH2:11][CH2:12][C@H:26]2[C@@H:24]3[CH2:10][CH2:9][C:22]4=[CH:17][C:23](=[O:31])[CH2:13][CH2:15][C@:28]4([CH3:4])[C@H:27]3[CH2:14][CH2:16][C@:29]12[CH3:5])[CH:20]([CH3:3])[CH:18]=[O:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0