hopan-22-ol

Properties Image MNX_ID MNXM736513 reference chebi:36484 formula C30H52O global charge 0 mol weight 428.745 InChIKey PNJBOAVCVAVRGR-UDCAXGDQSA-N InChI InChI=1S/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1 SMILES CC(C)(O)[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/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,27-,28-,29+,30+/m0/s1 SMILES (mnx) [CH3:1][C:25]1([CH3:2])[CH2:15][CH2:9][CH2:16][C@@:28]2([CH3:6])[C@H:22]1[CH2:14][CH2:19][C@:30]1([CH3:8])[C@@H:24]2[CH2:11][CH2:10][C@@H:23]2[C@@:27]3([CH3:5])[CH2:17][CH2:12][C@H:20]([C:26]([CH3:3])([CH3:4])[OH:31])[C@@H:21]3[CH2:13][CH2:18][C@:29]21[CH3:7]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1