21,22-diprenylpaxilline

Properties Image MNX_ID MNXM1100338 reference chebi:181405 formula C37H49NO4 global charge 0 mol weight 571.802 InChIKey YMPSZJNRZBHLRI-OGYDQXLWSA-N InChI InChI=1S/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1 SMILES CC(C)=CCC1=CC2=C(C=C1CC=C(C)C)C1=C(N2)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H](C(C)(C)O)O[C@H]4CC[C@@]32C)C1 MNX internals InChI (mnx) InChI=1/C37H49NO4/c1-21(2)9-11-23-17-26-27-19-25-13-16-37(41)28-20-30(39)33(34(5,6)40)42-31(28)14-15-35(37,7)36(25,8)32(27)38-29(26)18-24(23)12-10-22(3)4/h9-10,17-18,20,25,31,33,38,40-41H,11-16,19H2,1-8H3/t25-,31-,33-,35+,36+,37+/m0/s1 SMILES (mnx) [CH3:1][C:21]([CH3:2])=[CH:9][CH2:11][C:23]1=[C:24]([CH2:12][CH:10]=[C:22]([CH3:3])[CH3:4])[CH:18]=[C:29]2[C:26](=[CH:17]1)[C:27]1=[C:32]([C@@:36]3([CH3:8])[C@@H:25]([CH2:13][CH2:16][C@@:37]4([OH:41])[C:28]5=[CH:20][C:30](=[O:39])[C@@H:33]([C:34]([CH3:5])([CH3:6])[OH:40])[O:42][C@H:31]5[CH2:14][CH2:15][C@:35]34[CH3:7])[CH2:19]1)[NH:38]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0