sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate

Properties Image MNX_ID MNXM108966 reference chebi:69289 formula C26H39NaO7S global charge 0 mol weight 518.648 InChIKey AANADYPLGVVCHK-WAHTZHGESA-M InChI InChI=1S/C26H40O7S.Na/c1-24(2)12-6-13-26(4)20(24)11-14-25(3)19(9-7-17-15-22(31-5)33-23(17)27)18(8-10-21(25)26)16-32-34(28,29)30;/h15-16,19-22H,6-14H2,1-5H3,(H,28,29,30);/q;+1/p-1/b18-16+;/t19-,20-,21-,22+,25+,26-;/m0./s1 SMILES CO[C@H]1C=C(CC[C@H]2/C(=C/OS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)C(=O)O1.[Na+] MNX internals InChI (mnx) InChI=1/C26H40O7S.Na/c1-24(2)12-6-13-26(4)20(24)11-14-25(3)19(9-7-17-15-22(31-5)33-23(17)27)18(8-10-21(25)26)16-32-34(28,29)30;/h15-16,19-22H,6-14H2,1-5H3,(H,28,29,30);/q;+1/b18-16+;/t19-,20-,21-,22+,25+,26-;/m0./s1 SMILES (mnx) [CH3:1][C:24]1([CH3:2])[CH2:12][CH2:6][CH2:13][C@@:26]2([CH3:4])[C@H:20]1[CH2:11][CH2:14][C@:25]1([CH3:3])[C@@H:19]([CH2:9][CH2:7][C:17]3=[CH:15][C@H:22]([O:31][CH3:5])[O:33][C:23]3=[O:27])/[C:18](=[CH:16]/[O:32][S:34]([OH:28])(=[O:29])=[O:30])[CH2:8][CH2:10][C@@H:21]12.[Na+:35]

Parent-child relations graph

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