Schidigeragenin B

Properties Image MNX_ID MNXM130526 reference chebi:171906 formula C27H40O4 global charge 0 mol weight 428.613 InChIKey NTVAFGGHUHTGEK-ZSRPSOFJSA-N InChI InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3/t16-,17+,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1 SMILES C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C MNX internals InChI (mnx) InChI=1/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3/t16-,17+,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1 SMILES (mnx) [CH2:1]=[C:15]1[CH2:7][CH2:10][C@@:27]2([C@@H:16]([CH3:2])[C@H:24]3[C@H:22]([CH2:12][C@H:21]4[C@@H:19]5[CH2:6][CH2:5][C@@H:17]6[CH2:11][C@@H:18]([OH:28])[CH2:8][CH2:9][C@:25]6([CH3:3])[C@H:20]5[CH2:13][C:23](=[O:29])[C@@:26]43[CH3:4])[O:31]2)[O:30][CH2:14]1

Parent-child relations graph

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