27-Nor-4alpha-methyl-5alpha-ergosta-8(14),22-dien-3beta-ol

Properties Image MNX_ID MNXM24953 reference chebi:172994 formula C28H46O global charge 0 mol weight 398.675 InChIKey MRUKWXSBMFXKSZ-WKXXOVAESA-N InChI InChI=1S/C28H46O/c1-7-18(2)8-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8-9,18-20,22-23,25-26,29H,7,10-17H2,1-6H3/b9-8+/t18?,19?,20-,22+,23-,25?,26-,27+,28-/m0/s1 SMILES CCC(C)/C=C/C(C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C MNX internals InChI (mnx) InChI=1/C28H46O/c1-7-18(2)8-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8-9,18-20,22-23,25-26,29H,7,10-17H2,1-6H3/b9-8+/t18?,19?,20-,22+,23-,25?,26-,27+,28-/m0/s1 SMILES (mnx) [CH3:1][CH2:7][CH:18]([CH3:2])/[CH:8]=[CH:9]/[CH:19]([CH3:3])[C@H:22]1[CH2:12][CH2:13][C:24]2=[C:21]3[CH2:10][CH2:11][C@H:23]4[C@H:20]([CH3:4])[C@@H:26]([OH:29])[CH2:15][CH2:17][C@:28]4([CH3:6])[CH:25]3[CH2:14][CH2:16][C@:27]12[CH3:5]

Parent-child relations graph

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