(20S)-protopanaxatriol

Properties Image MNX_ID MNXM145876 reference chebi:75951 formula C30H52O4 global charge 0 mol weight 476.742 InChIKey SHCBCKBYTHZQGZ-CJPZEJHVSA-N InChI InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1 SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C MNX internals InChI (mnx) InChI=1/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1 SMILES (mnx) [CH3:1][C:18]([CH3:2])=[CH:10][CH2:9][CH2:13][C@@:30]([CH3:8])([C@H:19]1[CH2:11][CH2:15][C@:28]2([CH3:6])[C@@H:24]1[C@H:20]([OH:31])[CH2:16][C@@H:22]1[C@@:27]3([CH3:5])[CH2:14][CH2:12][C@H:23]([OH:33])[C:26]([CH3:3])([CH3:4])[C@@H:25]3[C@@H:21]([OH:32])[CH2:17][C@:29]12[CH3:7])[OH:34]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 10 in models (compartimentalized) 0