5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B

Properties Image MNX_ID MNXM118310 reference chebi:169523 formula C30H36O11 global charge 0 mol weight 572.607 InChIKey GCRPDPKXRPYCEV-UHFFFAOYSA-N InChI InChI=1S/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3 SMILES CCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C(COC7(OC34C6C7=O)C1CC2O)C(=O)O5 MNX internals InChI (mnx) InChI=1/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3/t14?,15?,16?,18?,19?,20?,24?,25?,26?,27?,28?,29?,30? SMILES (mnx) [CH3:1][CH2:5][O:37][C:28]12[CH2:9][CH:6]=[CH:7][C:17](=[O:31])[C:25]1([CH3:3])[CH:14]1[CH2:8][CH2:10][C:27]3([OH:36])[C:23](=[O:35])[O:40][C:26]4([CH3:4])[CH:19]5[CH2:12][C:24]6([CH3:2])[CH:16]([CH2:13][O:38][C:29]7([CH:15]1[CH2:11][CH:18]2[OH:32])[C:21](=[O:33])[CH:20]6[C:30]43[O:41]7)[C:22](=[O:34])[O:39]5

Parent-child relations graph

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