hopane-29-acetate

Properties Image MNX_ID MNXM11830 reference chebi:5760 formula C32H54O2 global charge 0 mol weight 470.782 InChIKey QSIMBUYUBYRBSU-ALPBESCQSA-N InChI InChI=1S/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1 SMILES CC(=O)OCC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C32H54O2/c1-21(20-34-22(2)33)23-12-17-29(5)24(23)13-18-31(7)26(29)10-11-27-30(6)16-9-15-28(3,4)25(30)14-19-32(27,31)8/h21,23-27H,9-20H2,1-8H3/t21?,23-,24+,25+,26-,27-,29+,30+,31-,32-/m1/s1 SMILES (mnx) [CH3:1][CH:21]([CH2:20][O:34][C:22]([CH3:2])=[O:33])[C@H:23]1[CH2:12][CH2:17][C@@:29]2([CH3:5])[C@H:24]1[CH2:13][CH2:18][C@:31]1([CH3:7])[C@@H:26]2[CH2:10][CH2:11][C@@H:27]2[C@@:30]3([CH3:6])[CH2:16][CH2:9][CH2:15][C:28]([CH3:3])([CH3:4])[C@@H:25]3[CH2:14][CH2:19][C@:32]21[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0