22alpha-Hydroxyerythrodiol

Properties Image MNX_ID MNXM117055 reference chebi:191761 formula C30H50O3 global charge 0 mol weight 458.727 InChIKey YXTURDGNXCWFHX-NEPODAOMSA-N InChI InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 SMILES CC1(C)C[C@H](O)[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 MNX internals InChI (mnx) InChI=1/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1 SMILES (mnx) [CH3:1][C:25]1([CH3:2])[CH2:16][C@H:20]2[C:19]3=[CH:8][CH2:9][C@@H:22]4[C@@:27]5([CH3:5])[CH2:12][CH2:11][C@H:23]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:21]5[CH2:10][CH2:13][C@@:29]4([CH3:7])[C@:28]3([CH3:6])[CH2:14][CH2:15][C@@:30]2([CH2:18][OH:31])[C@@H:24]([OH:33])[CH2:17]1

Parent-child relations graph

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