25-acetoxy-ergosta-3beta,5alpha,6beta-triol

Properties Image MNX_ID MNXM22656 reference chebi:183537 formula C30H52O5 global charge 0 mol weight 492.741 InChIKey NTYRSMDNACWFJE-GCYJJEFRSA-N InChI InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 SMILES CC(=O)OC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1 SMILES (mnx) [CH3:1][C@H:18]([CH2:8][CH2:9][C@H:19]([CH3:2])[C:27]([CH3:4])([CH3:5])[O:35][C:20]([CH3:3])=[O:31])[C@H:23]1[CH2:10][CH2:11][C@H:24]2[C@@H:22]3[CH2:16][C@@H:26]([OH:33])[C@@:30]4([OH:34])[CH2:17][C@@H:21]([OH:32])[CH2:12][CH2:15][C@:29]4([CH3:7])[C@H:25]3[CH2:13][CH2:14][C@:28]12[CH3:6]

Parent-child relations graph

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