epi-Friedelanol

Properties Image MNX_ID MNXM52271 reference chebi:80941 formula C30H52O global charge 0 mol weight 428.745 InChIKey XCDQFROEGGNAER-PFOIMGGJSA-N InChI InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 SMILES C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C MNX internals InChI (mnx) InChI=1/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 SMILES (mnx) [CH3:1][C@H:20]1[C@@H:21]([OH:31])[CH2:9][CH2:10][C@@H:22]2[C@:27]1([CH3:5])[CH2:12][CH2:11][C@H:23]1[C@@:28]2([CH3:6])[CH2:16][CH2:18][C@@:30]2([CH3:8])[C@@H:24]3[CH2:19][C:25]([CH3:2])([CH3:3])[CH2:13][CH2:14][C@:26]3([CH3:4])[CH2:15][CH2:17][C@:29]12[CH3:7]

Parent-child relations graph

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