Stigmasta-5-ene-3beta,7alpha,22alpha-triol

Properties Image MNX_ID MNXM130922 reference lipidmapsM:LMST01040303 formula C29H50O3 global charge 0 mol weight 446.716 InChIKey NZSAHCYFUVNLPX-VYNSOXFUSA-N InChI InChI=1S/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,25+,26+,27-,28-,29+/m0/s1 SMILES CC[C@H](C[C@@H](O)[C@@H](C)[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@]12C)C(C)C MNX internals InChI (mnx) InChI=1/C29H50O3/c1-7-19(17(2)3)14-25(31)18(4)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(30)15-20(28)16-26(27)32/h16-19,21-27,30-32H,7-15H2,1-6H3/t18-,19+,21-,22+,23-,24-,25+,26+,27-,28-,29+/m0/s1 SMILES (mnx) [CH3:1][CH2:7][C@H:19]([CH2:14][C@H:25]([C@@H:18]([CH3:4])[C@H:22]1[CH2:8][CH2:9][C@H:23]2[C@H:27]3[C@H:24]([CH2:11][CH2:13][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:12][CH2:10][C@H:21]([OH:30])[CH2:15][C:20]1=[CH:16][C@H:26]3[OH:32])[OH:31])[CH:17]([CH3:2])[CH3:3]

Parent-child relations graph

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