Penicisteroid D

Properties Image MNX_ID MNXM1131886 reference chebi:207853 formula C30H48O3 global charge 0 mol weight 456.711 InChIKey AYHBAGCWPTUZNA-YTRPNWAMSA-N InChI InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)28-27(33-21(5)31)17-26-24-11-10-22-16-23(32)12-14-29(22,6)25(24)13-15-30(26,28)7/h8-10,18-20,23-28,32H,11-17H2,1-7H3/b9-8+/t19-,20+,23-,24+,25-,26-,27-,28-,29-,30-/m0/s1 SMILES CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C MNX internals InChI (mnx) InChI=1/C30H48O3/c1-18(2)19(3)8-9-20(4)28-27(33-21(5)31)17-26-24-11-10-22-16-23(32)12-14-29(22,6)25(24)13-15-30(26,28)7/h8-10,18-20,23-28,32H,11-17H2,1-7H3/b9-8+/t19-,20+,23-,24+,25-,26-,27-,28-,29-,30-/m0/s1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[C@@H:19]([CH3:3])/[CH:8]=[CH:9]/[C@@H:20]([CH3:4])[C@H:28]1[C@@H:27]([O:33][C:21]([CH3:5])=[O:31])[CH2:17][C@H:26]2[C@@H:24]3[CH2:11][CH:10]=[C:22]4[CH2:16][C@@H:23]([OH:32])[CH2:12][CH2:14][C@:29]4([CH3:6])[C@H:25]3[CH2:13][CH2:15][C@@:30]21[CH3:7]

Parent-child relations graph

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