24a,24b-Dihomo-9,10-secocholesta-5,7,10(19),24a-tetraen-1alpha,3,25-triol

Properties Image MNX_ID MNXM35663 reference chebi:185801 formula C29H44O3 global charge 0 mol weight 440.668 InChIKey SFWPJGMGUWDJCE-NLCTUAMCSA-N InChI InChI=1S/C29H44O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h8,12-14,16,20,24,26-27,30-32H,2,6-7,9-11,15,17-19H2,1,3-5H3/b16-8+,22-12+,23-13-/t20-,24-,26+,27+,29-/m1/s1 SMILES C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCC/C=C/C(C)(C)O)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C29H44O3/c1-20(10-7-6-8-16-28(3,4)32)25-14-15-26-22(11-9-17-29(25,26)5)12-13-23-18-24(30)19-27(31)21(23)2/h8,12-14,16,20,24,26-27,30-32H,2,6-7,9-11,15,17-19H2,1,3-5H3/b16-8+,22-12+,23-13-/t20-,24-,26+,27+,29-/m1/s1 SMILES (mnx) [CH3:1][C@H:20]([CH2:10][CH2:7][CH2:6]/[CH:8]=[CH:16]/[C:28]([CH3:3])([CH3:4])[OH:32])[C:25]1=[CH:14][CH2:15][C@H:26]2/[C:22](=[CH:12]/[CH:13]=[C:23]3/[CH2:18][C@@H:24]([OH:30])[CH2:19][C@H:27]([OH:31])[C:21]3=[CH2:2])[CH2:11][CH2:9][CH2:17][C@:29]12[CH3:5]

Parent-child relations graph

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