a (22R,23R)-28-homobrassinolide sulfate

Properties Image MNX_ID MNXM14437 reference metacycM:28-Homobrassinosteroid-Sulfates formula C29H46O6*4 global charge 0 mol weight   InChIKey   InChI   SMILES [*]O[C@H]([C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O[*])[C@H](O[*])C[C@]4(C)[C@H]3CC[C@]12C)[C@H](O[*])[C@@H](CC)C(C)C MNX internals InChI (mnx) InChI=1/C33H58O6/c1-11-21(19(2)3)30(38-10)29(37-9)20(4)23-12-13-24-22-18-39-31(34)26-16-27(35-7)28(36-8)17-33(26,6)25(22)14-15-32(23,24)5/h19-30H,11-18H2,1-10H3/t20-,21-,22-,23+,24-,25-,26+,27-,28+,29+,30+,32+,33+/m0/s1/i7+1,8+1,9+1,10+1 SMILES (mnx) [CH3:1][CH2:11][C@@H:21]([CH:19]([CH3:2])[CH3:3])[C@H:30]([C@@H:29]([C@@H:20]([CH3:4])[C@H:23]1[CH2:12][CH2:13][C@H:24]2[C@@H:22]3[CH2:18][O:39][C:31](=[O:34])[C@H:26]4[CH2:16][C@H:27]([O:35][13CH3:7])[C@H:28]([O:36][13CH3:8])[CH2:17][C@:33]4([CH3:6])[C@H:25]3[CH2:14][CH2:15][C@:32]12[CH3:5])[O:37][13CH3:9])[O:38][13CH3:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0