cyclobranol

Properties Image MNX_ID MNXM1107726 reference metacycM:CPD-16856 formula C31H52O global charge 0 mol weight 440.756 InChIKey CIBNJPPYSPYHDB-UEBIAWITSA-N InChI InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 SMILES CC(C)=C(C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C MNX internals InChI (mnx) InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h22-26,32H,9-19H2,1-8H3/t22-,23-,24+,25+,26+,28-,29+,30-,31+/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[C:21]([CH3:3])[CH2:9][CH2:10][C@@H:22]([CH3:4])[C@H:23]1[CH2:13][CH2:15][C@@:29]2([CH3:8])[C@@H:25]3[CH2:12][CH2:11][C@H:24]4[C:27]([CH3:5])([CH3:6])[C@@H:26]([OH:32])[CH2:14][CH2:16][C@@:30]45[CH2:19][C@@:31]35[CH2:18][CH2:17][C@:28]12[CH3:7]

Parent-child relations graph

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