rel-sodium 2-((1S,4R,5aS,5bR,7aS,11aS,11bR,13R,13aS)-13-acetoxy-1,4-dimethoxy-5b,8,8,11a,13a-pentamethyl-3-oxo-5,5a,6,7,7a,8,9,10,11,11a,11b,12,13,13a-tetradecahydro-1H-phenanthro[2,1-e]isoindol-2(3H,4H,5bH)-yl)acetate

Properties Image Occurences in reactions MNX_ID MNXM108528 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C31H46NNaO7 charge 0 mass 567.3172 reference chebi:68046 InChIKey BBHAAZMOYFZRHO-YQLNDFCVSA-M InChI InChI=1S/C31H47NO7.Na/c1-17(33)39-22-15-20-29(4)12-9-11-28(2,3)19(29)10-13-30(20,5)21-14-18(37-7)24-25(31(21,22)6)27(38-8)32(26(24)36)16-23(34)35;/h18-22,27H,9-16H2,1-8H3,(H,34,35);/q;+1/p-1/t18-,19+,20-,21+,22-,27+,29+,30-,31-;/m1./s1 SMILES CO[C@H]1C2=C(C(=O)N1CC(=O)[O-])[C@H](OC)C[C@@H]1[C@]2(C)[C@H](OC(C)=O)C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C.[Na+]

Parent-child relations graph

Deprecated MNXref IDs graph