(20S)-Stigmasta-5-ene-3beta,7alpha,20-triol

Properties Image MNX_ID MNXM1131898 reference lipidmapsM:LMST01040270 formula C29H50O3 global charge 0 mol weight 446.716 InChIKey LFXFYKDBWOCRFD-IJSUCEOISA-N InChI InChI=1S/C29H50O3/c1-7-19(18(2)3)10-15-29(6,32)25-9-8-22-26-23(12-14-28(22,25)5)27(4)13-11-21(30)16-20(27)17-24(26)31/h17-19,21-26,30-32H,7-16H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,27+,28+,29+/m1/s1 SMILES CC[C@H](CC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C MNX internals InChI (mnx) InChI=1/C29H50O3/c1-7-19(18(2)3)10-15-29(6,32)25-9-8-22-26-23(12-14-28(22,25)5)27(4)13-11-21(30)16-20(27)17-24(26)31/h17-19,21-26,30-32H,7-16H2,1-6H3/t19-,21+,22+,23+,24-,25+,26+,27+,28+,29+/m1/s1 SMILES (mnx) [CH3:1][CH2:7][C@H:19]([CH2:10][CH2:15][C@@:29]([CH3:6])([C@H:25]1[CH2:9][CH2:8][C@H:22]2[C@H:26]3[C@H:23]([CH2:12][CH2:14][C@@:28]21[CH3:5])[C@@:27]1([CH3:4])[CH2:13][CH2:11][C@H:21]([OH:30])[CH2:16][C:20]1=[CH:17][C@H:24]3[OH:31])[OH:32])[CH:18]([CH3:2])[CH3:3]

Parent-child relations graph

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