16-O-acetylgitoxin

Properties Image MNX_ID MNXM101472 reference chebi:71020 formula C43H66O15 global charge 0 mol weight 822.986 InChIKey NEBPBFLVSYFRQE-FVNRWCPUSA-N InChI InChI=1S/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1 SMILES CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O[C@H]5C[C@H](O)[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 MNX internals InChI (mnx) InChI=1/C43H66O15/c1-20-38(49)29(45)15-35(52-20)57-40-22(3)54-36(17-31(40)47)58-39-21(2)53-34(16-30(39)46)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(48)51-19-24)32(55-23(4)44)18-43(28,42)50/h13,20-22,25-32,34-40,45-47,49-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32+,34+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1 SMILES (mnx) [CH3:1][C@@H:20]1[C@@H:38]([OH:49])[C@@H:29]([OH:45])[CH2:15][C@H:35]([O:57][C@@H:40]2[C@@H:22]([CH3:3])[O:54][C@@H:36]([O:58][C@@H:39]3[C@@H:21]([CH3:2])[O:53][C@@H:34]([O:56][C@H:26]4[CH2:9][CH2:11][C@@:41]5([CH3:5])[C@H:25]([CH2:7][CH2:8][C@@H:28]6[C@@H:27]5[CH2:10][CH2:12][C@:42]5([CH3:6])[C@@H:37]([C:24]7=[CH:13][C:33](=[O:48])[O:51][CH2:19]7)[C@@H:32]([O:55][C:23]([CH3:4])=[O:44])[CH2:18][C@:43]65[OH:50])[CH2:14]4)[CH2:16][C@@H:30]3[OH:46])[CH2:17][C@@H:31]2[OH:47])[O:52]1

Parent-child relations graph

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