17alpha-hydroxywithanolide D

Properties Image MNX_ID MNXM101494 reference chebi:66329 formula C28H38O7 global charge 0 mol weight 486.605 InChIKey JVEUOKCSZLCPOI-IBELMYMKSA-N InChI InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1 SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 MNX internals InChI (mnx) InChI=1/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1 SMILES (mnx) [CH3:1][C:14]1=[C:15]([CH3:2])[C:23](=[O:31])[O:34][C@@H:21]([C@@:26]([CH3:5])([C@@:27]2([OH:33])[CH2:11][CH2:9][C@H:17]3[C@@H:16]4[CH2:13][C@@H:22]5[C@@:28]6([C@@H:20]([OH:30])[CH:7]=[CH:6][C:19](=[O:29])[C@:25]6([CH3:4])[C@H:18]4[CH2:8][CH2:10][C@@:24]32[CH3:3])[O:35]5)[OH:32])[CH2:12]1

Parent-child relations graph

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